2-(3-methylcyclohexyl)pentan-3-ol

C12H24O — CID 79436238

IUPAC2-(3-methylcyclohexyl)pentan-3-ol
SMILESCCC(O)C(C)C1CCCC(C)C1
InChIInChI=1S/C12H24O/c1-4-12(13)10(3)11-7-5-6-9(2)8-11/h9-13H,4-8H2,1-3H3
InChIKeyVJNDGWBFRFXWNU-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-methylcyclohexyl)pentan-3-ol

2-(3-methylcyclohexyl)pentan-3-ol (PubChem CID 79436238) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)pentan-3-ol.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)pentan-3-ol
PubChem CID79436238
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-(3-methylcyclohexyl)pentan-3-ol
SMILESCCC(O)C(C)C1CCCC(C)C1
InChIInChI=1S/C12H24O/c1-4-12(13)10(3)11-7-5-6-9(2)8-11/h9-13H,4-8H2,1-3H3
InChIKeyVJNDGWBFRFXWNU-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-methylcyclohexyl)pentan-3-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

1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
2-(3-methoxycyclohexyl)pentan-3-ol
CID 79436910
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
4-methyl-6-(3-methylcyclononyl)nonan-3-ol
CID 123945349
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
2-[(3R)-3-methylcyclohexyl]propane-1,3-diol;propane
CID 168973944
1-methyl-3-(3-methylheptan-4-yl)cyclohexane
CID 147901007
2-ethyl-1-(3-methylcyclohexyl)butane-1,2-diol
CID 103449271
1-hexan-3-yl-3-methylcyclohexane
CID 143887329

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)pentan-3-ol?
The IUPAC name of 2-(3-methylcyclohexyl)pentan-3-ol (CID 79436238) is 2-(3-methylcyclohexyl)pentan-3-ol.
What is the SMILES notation for 2-(3-methylcyclohexyl)pentan-3-ol?
The canonical SMILES for 2-(3-methylcyclohexyl)pentan-3-ol is CCC(O)C(C)C1CCCC(C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)pentan-3-ol?
The InChIKey is VJNDGWBFRFXWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-12(13)10(3)11-7-5-6-9(2)8-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-(3-methylcyclohexyl)pentan-3-ol?
2-(3-methylcyclohexyl)pentan-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)pentan-3-ol is sourced from PubChem (CID 79436238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).