10-Methyl-1-undecene

Details

• Internal ID: 2ad76e93-2751-4538-a21d-c7f7083fe008
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Unsaturated aliphatic hydrocarbons
• IUPAC Name: 10-methylundec-1-ene
• SMILES (Canonical): CC(C)CCCCCCCC=C
• SMILES (Isomeric): CC(C)CCCCCCCC=C
• InChI: InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h4,12H,1,5-11H2,2-3H3
• InChI Key: AQLBDEAOQUJAIE-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₄
• Molecular Weight: 168.32 g/mol
• Exact Mass: 168.187800766 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 6.50

Synonyms

• Isododecene
• 1-Undecene, 10-methyl-
• 10-methyl-undec-1-ene
• 22370-55-4
• 10-Methyl-1-undecene #
• DTXSID20334197
• AKOS006275656

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
CHEMBL2581	P07339	Cathepsin D	90.69%	98.95%
CHEMBL2885	P07451	Carbonic anhydrase III	89.40%	87.45%
CHEMBL1907	P15144	Aminopeptidase N	88.22%	93.31%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	88.11%	96.47%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.07%	97.29%
CHEMBL1829	O15379	Histone deacetylase 3	85.29%	95.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.25%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.61%	99.17%
CHEMBL283	P08254	Matrix metalloproteinase 3	83.05%	97.29%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.66%	93.56%
CHEMBL3975	P09467	Fructose-1,6-bisphosphatase	81.81%	92.95%
CHEMBL221	P23219	Cyclooxygenase-1	80.63%	90.17%
CHEMBL1937	Q92769	Histone deacetylase 2	80.40%	94.75%

Plants that contains it

• Vaccinium corymbosum

Cross-Links

• PubChem: 519941
• LOTUS: LTS0177915
• wikiData: Q82099908