Solketal

Details

• Internal ID: 8bc97ee5-fe4d-4faf-bec7-c7cb65487f6c
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals
• IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
• SMILES (Canonical): CC1(OCC(O1)CO)C
• SMILES (Isomeric): CC1(OCC(O1)CO)C
• InChI: InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
• InChI Key: RNVYQYLELCKWAN-UHFFFAOYSA-N
• Popularity: 272 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₂O₃
• Molecular Weight: 132.16 g/mol
• Exact Mass: 132.078644241 g/mol
• Topological Polar Surface Area (TPSA): 38.70 Ų
• XlogP: -0.20

Synonyms

• 100-79-8
• 2,2-Dimethyl-1,3-dioxolane-4-methanol
• (2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
• Isopropylidene glycerol
• Glycerolacetone
• DL-1,2-Isopropylideneglycerol
• Glycerol dimethylketal
• 1,2-Isopropylideneglycerol
• 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
• 2,3-Isopropylideneglycerol
• 1,2-O-Isopropylideneglycerol
• Glycerol acetonide
• 2,2-Dimethyl-4-(hydroxymethyl)-1,3-dioxacyclopentane
• Acetone monoglycerol ketal
• 1,2-Isopropylideneglycerin
• Glycerinisopropylidene ether
• 2,3-(Isopropylidenedioxy)propanol
• 2,2-Dimethyl-1,3-dioxolan-4-ylmethanol
• 2,3-O-Isopropylideneglycerol
• 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane
• 2,2-Dimethyl-4-hydroxymethyldioxolane
• 1,2-O,O-Isopropylideneglycerin
• Glycerol, 1,2-O-isopropylidene
• Glycerolacetonide
• 36543-79-0
• 2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane
• 4-Hydroxymethyl-2,2-dimethyl-1,3-dioxolane
• MFCD00063238
• NSC 59720
• (+/-)-2,2-Dimethyl-1,3-dioxolane-4-methanol
• 2,2-Dimethyl-4-oxymethyl-1,3-dioxolane
• 2,2-Dimethyl-1,3-dioxolan-4-yl methanol
• Acetone, cyclic (hydroxymethyl)ethylene acetal
• .alpha.,.beta.-Isopropylideneglycerol
• 3XK098O8ZW
• GIE
• 1,2-Isopropylidene-rac-glycerol
• NSC-59720
• 74300-14-4
• (2,2-dimethyl-[1,3]dioxolan-4-yl)-methanol
• (RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol-d5
• (+/-)-2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane
• 2,2-Dimethyl-1,3-dioxolane-13C3-4-methanol
• D-Acetone glycerol
• Glycerol acetonide (VAN)
• R-(-)-Sollketal
• 1436560-86-9
• alpha,beta-Isopropylideneglycerol
• EINECS 202-888-7
• BRN 0104465
• UNII-3XK098O8ZW
• AI3-03547
• Racemic solketal
• MFCD00003213
• MFCD00063239
• (RS)-Solketal
• 2,3-dioxacyclopentane
• 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)-
• 1,O-Isopropylideneglycerin
• EC 202-888-7
• 1,2-isopropylidene glycerol
• Glycerol,2-O-isopropylidene
• SCHEMBL23556
• ACETONE GLYCERIN KETAL
• 2,3-dioxolan-4-yl methanol
• 5-19-02-00362 (Beilstein Handbook Reference)
• DL-1,2-isoproylideneglycerol
• 1,2-o-isopropylidene glycerol
• 2,2-Dimethyl-1,3-dioxolan-4-yl methanol [IUPAC]
• 4-Hydroxymethyl-2,3-dioxolane
• SCHEMBL3991160
• 1.2-isopropylidene-rac-glycerol
• CHEMBL3342436
• DTXSID9021845
• AM666
• dimethyl-1,3-dioxolane-4-methanol
• BCP26373
• NSC59720
• ISOPROPYLIDENE GLYCEROL [MI]
• (.+/-.)-Glycerol 1,2-acetonide
• AC-364
• WLN: T5O COTJ B1 B1 D1Q
• AKOS000120075
• AKOS022060550
• AM90170
• CS-W018546
• (-)-2,3-O-Isopropylidene-sn-glycerol
• 2,2-dimethyl-1,3-dioxolan-4-methanol
• 2,2-dimethyl-1,3-dioxolane4-methanol
• Dimethyl-4-hydroxymethyl-1,3-dioxolane
• 2,3-(dimethylmethylenedioxy)-1-propanol
• dl-.alpha.,.beta.-Isopropylideneglycerol
• (.+/-.)-1,2-O-Isopropylideneglycerol
• AS-46670
• SY010573
• SY017180
• SY017621
• (2,2-dimethyl-1,3-dioxolan-4yl)methanol
• 2,2-dimethyl-[1,3]dioxolane-4-methanol
• Benzene, 1-fluoro-3-(1-propyn-1-yl)-
• DL-1,2-Isopropylideneglycerol, >=97.0%
• (2,2-dimethyl[1,3]dioxolan-4-yl)methanol
• 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolan
• 4-hydroxymethyl-2,2-dimethyl-1,3-dioxolan
• D0710
• FT-0602207
• FT-0605040
• FT-0609251
• FT-0667422
• (2,2-dimethyl-[1,3]dioxolan-4-yl)methanol
• EN300-20586
• (-)-2,2-Dimethyl-1,3-dioxolane-4-methanol
• E10100
• (2,2-dimethyl-[1,3]dioxolan-4-yl) -methanol
• (4RS)-2,2-dimethyl 1.3-dioxolane-4-methanol
• (4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol
• (r,s)-2,2-dimethyl-1,3-dioxolane-4-methanol
• 2,2-Dimethyl-1,3-dioxolane-4-methanol Solketal
• (rac)-2,2-dimethyl-[1,3]-dioxolane-4-methanol
• 2,2-dimethyl-1,3-dioxolane4-methanol (solketal)
• 2,2dimethyl-1,3-dioxolane-4-methanol (solketal)
• rac-(2,2-dimethyl-[1,3]dioxolan-4-yl)-methanol
• rac-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol
• (R)-(?)-2,2-Dimethyl-1,3-dioxolane-4-methanol
• 2,2-dimethyl-1,3-dioxolane-4-methanol (solketal)
• Q2968854
• W-108939
• [(4R/S)-2,2-Dimethyl-1,3-dioxolan-4-yl]methanol
• F0001-0027
• Z104479028

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.38%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.14%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	89.28%	83.82%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.23%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.89%	97.09%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	81.65%	91.24%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.55%	96.61%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.33%	95.50%
CHEMBL2996	Q05655	Protein kinase C delta	81.09%	97.79%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.87%	97.25%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 7528
• LOTUS: LTS0077102
• wikiData: Q2968854