4-(2-methylprop-1-enylidene)octan-2-ol

C12H22O — CID 12739718

IUPAC4-(2-methylprop-1-enylidene)octan-2-ol
SMILESCCCCC(=C=C(C)C)CC(C)O
InChIInChI=1S/C12H22O/c1-5-6-7-12(8-10(2)3)9-11(4)13/h11,13H,5-7,9H2,1-4H3
InChIKeyUSCODUAOFINTNQ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.44
Rot. Bonds5

About 4-(2-methylprop-1-enylidene)octan-2-ol

4-(2-methylprop-1-enylidene)octan-2-ol (PubChem CID 12739718) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(2-methylprop-1-enylidene)octan-2-ol.

Molecular Properties

Compound Name4-(2-methylprop-1-enylidene)octan-2-ol
PubChem CID12739718
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-(2-methylprop-1-enylidene)octan-2-ol
SMILESCCCCC(=C=C(C)C)CC(C)O
InChIInChI=1S/C12H22O/c1-5-6-7-12(8-10(2)3)9-11(4)13/h11,13H,5-7,9H2,1-4H3
InChIKeyUSCODUAOFINTNQ-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-methylprop-1-enylidene)octan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(2-methylprop-1-enylidene)octan-2-ol
CID 71419807
acetic acid;(2R)-4-(2-methylprop-1-enylidene)octan-2-ol
CID 71419804
2-hydroxyundecan-4-one
CID 57218315
6-methyl-4-trimethylsilylhepta-4,5-dien-2-ol
CID 71323235
(3S)-5-ethenylidenenonan-3-ol
CID 71419853
(2R)-heptan-2-ol
CID 6992611
4-ethyl-2-methylhexa-2,3-diene
CID 14399059
butan-2-ol;pentane
CID 87560104
acetic acid;(3R)-5-ethenylidenenonan-3-ol
CID 71419852
henicosan-2-ol
CID 14151023
docosan-2-ol
CID 14151025
heptan-2-ol;hydroxylamine
CID 88625997

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enylidene)octan-2-ol?
The IUPAC name of 4-(2-methylprop-1-enylidene)octan-2-ol (CID 12739718) is 4-(2-methylprop-1-enylidene)octan-2-ol.
What is the SMILES notation for 4-(2-methylprop-1-enylidene)octan-2-ol?
The canonical SMILES for 4-(2-methylprop-1-enylidene)octan-2-ol is CCCCC(=C=C(C)C)CC(C)O.
What is the InChIKey of 4-(2-methylprop-1-enylidene)octan-2-ol?
The InChIKey is USCODUAOFINTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-7-12(8-10(2)3)9-11(4)13/h11,13H,5-7,9H2,1-4H3.
What are the key properties of 4-(2-methylprop-1-enylidene)octan-2-ol?
4-(2-methylprop-1-enylidene)octan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enylidene)octan-2-ol is sourced from PubChem (CID 12739718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).