Decamethylcyclopentasiloxane

Details

• Internal ID: 17deaf12-c3fa-4275-a3db-3df9d3db132b
• Taxonomy: Organometallic compounds > Organometalloid compounds > Organosilicon compounds > Organoheterosilanes
• IUPAC Name: 2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
• SMILES (Canonical): C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C
• SMILES (Isomeric): C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C
• InChI: InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3
• InChI Key: XMSXQFUHVRWGNA-UHFFFAOYSA-N
• Popularity: 348 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₃₀O₅Si₅
• Molecular Weight: 370.77 g/mol
• Exact Mass: 370.09395673 g/mol
• Topological Polar Surface Area (TPSA): 46.20 Ų
• XlogP: 0.00
• Atomic LogP (AlogP): 3.59
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Rotatable Bonds: 0

Synonyms

• 541-02-6
• Cyclopentasiloxane, decamethyl-
• Cyclomethicone 5
• 2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
• Dimethylsiloxane pentamer
• Dekamethylcyklopentasiloxan
• NUC silicone VS 7158
• Dow corning 345
• Silicon SF 1202
• Cyclic dimethylsiloxane pentamer
• Ciclopentasiloxane
• Cyclomethicone D5
• KF 995
• VS 7158
• CCRIS 1328
• HSDB 5683
• Dekamethylcyklopentasiloxan [Czech]
• EINECS 208-764-9
• UNII-0THT5PCI0R
• 0THT5PCI0R
• SF 1202
• BRN 1800166
• C10H30O5Si5
• DTXSID1027184
• D5
• EC 208-764-9
• 4-04-00-04128 (Beilstein Handbook Reference)
• Cyclopentasiloxane, 2,2,4,4,6,6,8,8,10,10-decamethyl-
• MFCD00046966
• 2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentoxapentasilecane
• D5-sil
• Ddecamethylcyclopentasiloxane
• decamethyl cyclopentasiloxane
• D5 Cyclomethicone
• dimethylcyclopentasiloxane
• Decamethylcylopentasiloxane
• JEESILC CPS-211
• SCHEMBL28497
• N-Propylheptamethyltrisiloxane
• XIAMETER PMX-0245
• DTXCID907184
• CYCLOPENTASILOXANE (D5)
• 2,2,4,4,6,6,8,8,10,10-Decamethylcyclopentasiloxane
• CHEMBL1885178
• CYCLOPENTASILOXANE [INCI]
• D5 (Decamethylcyclopentasiloxane)
• CHEBI:191092
• Decamethylcyclopentasiloxane, 97%
• XMSXQFUHVRWGNA-UHFFFAOYSA-N
• C10-H30-O5-Si5
• CYCLOMETHICONE 5 [USP-RS]
• CYCLOMETHICONE 5 [WHO-DD]
• BCP15826
• Tox21_303170
• CD3770
• KF-995
• AKOS008901199
• CS-O-01236
• CS-W009767
• DB11244
• DOW CORNING ST CYCLOMETHICONE 5
• DECAMETHYLCYCLOPENTASILOXANE [MI]
• NCGC00163981-01
• NCGC00257224-01
• OCTAMETHYLCYCLOTETRASILOXANE (D5)
• AS-59731
• CAS-541-02-6
• DECAMETHYLCYCLOPENTASILOXANE [HSDB]
• LS-58254
• KP-545 COMPONENT CYCLOMETHICONE 5
• D1890
• D3770
• Decamethylcyclopentasiloxane (cyclic monomer)
• FT-0665531
• D78203
• S05475
• Decamethylcyclopentasiloxane, analytical standard
• Q414350
• Ciclopentasiloxano, 2,2,4,4,6,6,8,8,10,10-decametil-
• decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
• Cyclomethicone 5, United States Pharmacopeia (USP) Reference Standard
• 2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane #
• D5 Cyclomethicone, Pharmaceutical Secondary Standard; Certified Reference Material

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.8800	88.00%
Caco-2	+	0.5975	59.75%
Blood Brain Barrier	+	0.7500	75.00%
Human oral bioavailability	+	0.7714	77.14%
Subcellular localzation	Lysosomes	0.4556	45.56%
OATP2B1 inhibitior	-	0.8619	86.19%
OATP1B1 inhibitior	+	0.9701	97.01%
OATP1B3 inhibitior	+	0.9563	95.63%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	0.9250	92.50%
BSEP inhibitior	-	0.9103	91.03%
P-glycoprotein inhibitior	-	0.9427	94.27%
P-glycoprotein substrate	-	0.9900	99.00%
CYP3A4 substrate	-	0.7774	77.74%
CYP2C9 substrate	-	0.7829	78.29%
CYP2D6 substrate	-	0.7930	79.30%
CYP3A4 inhibition	-	0.9161	91.61%
CYP2C9 inhibition	-	0.8823	88.23%
CYP2C19 inhibition	-	0.8368	83.68%
CYP2D6 inhibition	-	0.9304	93.04%
CYP1A2 inhibition	-	0.7769	77.69%
CYP2C8 inhibition	-	0.9901	99.01%
CYP inhibitory promiscuity	-	0.9573	95.73%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.6500	65.00%
Carcinogenicity (trinary)	Non-required	0.5650	56.50%
Eye corrosion	+	0.6961	69.61%
Eye irritation	+	0.9962	99.62%
Skin irritation	-	0.9122	91.22%
Skin corrosion	-	0.9723	97.23%
Ames mutagenesis	-	0.9900	99.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.7553	75.53%
Micronuclear	-	0.5100	51.00%
Hepatotoxicity	+	0.9052	90.52%
skin sensitisation	-	0.7816	78.16%
Respiratory toxicity	-	0.8667	86.67%
Reproductive toxicity	-	0.6778	67.78%
Mitochondrial toxicity	-	0.5622	56.22%
Nephrotoxicity	+	0.7915	79.15%
Acute Oral Toxicity (c)	II	0.4178	41.78%
Estrogen receptor binding	-	0.8300	83.00%
Androgen receptor binding	-	0.8984	89.84%
Thyroid receptor binding	-	0.7134	71.34%
Glucocorticoid receptor binding	-	0.8086	80.86%
Aromatase binding	-	0.7612	76.12%
PPAR gamma	-	0.6963	69.63%
Honey bee toxicity	-	0.8896	88.96%
Biodegradation	-	0.8250	82.50%
Crustacea aquatic toxicity	-	0.6300	63.00%
Fish aquatic toxicity	-	0.7866	78.66%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
No predicted targets yet!

Plants that contains it

• Pterocarpus indicus

Cross-Links

• PubChem: 10913
• NPASS: NPC219694