4-methyl-1-pentylcyclohexan-1-ol

C12H24O — CID 65147316

IUPAC4-methyl-1-pentylcyclohexan-1-ol
SMILESCCCCCC1(O)CCC(C)CC1
InChIInChI=1S/C12H24O/c1-3-4-5-8-12(13)9-6-11(2)7-10-12/h11,13H,3-10H2,1-2H3
InChIKeyJWWDGEFWMAXXFF-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds4

About 4-methyl-1-pentylcyclohexan-1-ol

4-methyl-1-pentylcyclohexan-1-ol (PubChem CID 65147316) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-methyl-1-pentylcyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-pentylcyclohexan-1-ol
PubChem CID65147316
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-methyl-1-pentylcyclohexan-1-ol
SMILESCCCCCC1(O)CCC(C)CC1
InChIInChI=1S/C12H24O/c1-3-4-5-8-12(13)9-6-11(2)7-10-12/h11,13H,3-10H2,1-2H3
InChIKeyJWWDGEFWMAXXFF-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-1-pentylcyclohexan-1-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-decyl-4-ethylcyclohexan-1-ol
CID 65147378
1-heptadecylcyclopropan-1-ol
CID 2802251
1-octadecylcyclohexan-1-ol
CID 67204292
1-heptylcycloheptan-1-ol
CID 57057960
4-pentyloxan-4-ol
CID 65145510
1-[[butyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 111476121
1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol
CID 115647632
1,1-dibutyl-4-methylcyclohexane
CID 147112544
1-[(heptan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115663
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
8-octylspiro[4.5]decan-8-ol
CID 114819460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentylcyclohexan-1-ol?
The IUPAC name of 4-methyl-1-pentylcyclohexan-1-ol (CID 65147316) is 4-methyl-1-pentylcyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-pentylcyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-pentylcyclohexan-1-ol is CCCCCC1(O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-pentylcyclohexan-1-ol?
The InChIKey is JWWDGEFWMAXXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-8-12(13)9-6-11(2)7-10-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-pentylcyclohexan-1-ol?
4-methyl-1-pentylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentylcyclohexan-1-ol is sourced from PubChem (CID 65147316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).