[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol

C20H38O — CID 19899796

IUPAC[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
SMILESCCCCCC1CCC(CCC2CCC(CO)CC2)CC1
InChIInChI=1S/C20H38O/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-14-20(16-21)15-13-19/h17-21H,2-16H2,1H3
InChIKeyKKRGLSAPMUYHOW-UHFFFAOYSA-N
MW294.52 g/mol
LogP5.95
Rot. Bonds8

About [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol

[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol (PubChem CID 19899796) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
PubChem CID19899796
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
SMILESCCCCCC1CCC(CCC2CCC(CO)CC2)CC1
InChIInChI=1S/C20H38O/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-14-20(16-21)15-13-19/h17-21H,2-16H2,1H3
InChIKeyKKRGLSAPMUYHOW-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol 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

[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
hexane;pentylcyclopropane
CID 159592467
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol?
The IUPAC name of [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol (CID 19899796) is [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol?
The canonical SMILES for [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol is CCCCCC1CCC(CCC2CCC(CO)CC2)CC1.
What is the InChIKey of [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol?
The InChIKey is KKRGLSAPMUYHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-14-20(16-21)15-13-19/h17-21H,2-16H2,1H3.
What are the key properties of [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol?
[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol has a molecular weight of 294.52 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol is sourced from PubChem (CID 19899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).