5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol

C31H58O — CID 140677372

IUPAC5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCC1CCC(CCC2CCC(C3CCC(CCCCCO)CC3CC)C(CC)C2)CC1
InChIInChI=1S/C31H58O/c1-4-24-11-13-25(14-12-24)15-16-27-18-20-31(29(6-3)23-27)30-19-17-26(22-28(30)5-2)10-8-7-9-21-32/h24-32H,4-23H2,1-3H3
InChIKeyAPMFWAGMVFFMTF-UHFFFAOYSA-N
MW446.80 g/mol
LogP9.42
Rot. Bonds12

About 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol

5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol (PubChem CID 140677372) has the molecular formula C31H58O and a molecular weight of 446.80 g/mol. Its IUPAC name is 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
PubChem CID140677372
Molecular FormulaC31H58O
Molecular Weight446.80 g/mol
Exact Mass446.45
IUPAC Name5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCC1CCC(CCC2CCC(C3CCC(CCCCCO)CC3CC)C(CC)C2)CC1
InChIInChI=1S/C31H58O/c1-4-24-11-13-25(14-12-24)15-16-27-18-20-31(29(6-3)23-27)30-19-17-26(22-28(30)5-2)10-8-7-9-21-32/h24-32H,4-23H2,1-3H3
InChIKeyAPMFWAGMVFFMTF-UHFFFAOYSA-N
XLogP9.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.80
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-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

3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 140677444
5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
4-[3-ethyl-4-[2-ethyl-4-[(4-propylcyclohexyl)methoxy]cyclohexyl]cyclohexyl]butan-1-ol
CID 140677431
5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677376
3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol
CID 140677434
2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
2-[3-ethyl-4-(2-ethyl-4-methylcyclohexyl)cyclohexyl]ethanol
CID 118147189
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-(6-cyclopropylhexyl)-2-ethylcyclopropane
CID 123193408
5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol?
The IUPAC name of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol (CID 140677372) is 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol.
What is the SMILES notation for 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol?
The canonical SMILES for 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol is CCC1CCC(CCC2CCC(C3CCC(CCCCCO)CC3CC)C(CC)C2)CC1.
What is the InChIKey of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol?
The InChIKey is APMFWAGMVFFMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58O/c1-4-24-11-13-25(14-12-24)15-16-27-18-20-31(29(6-3)23-27)30-19-17-26(22-28(30)5-2)10-8-7-9-21-32/h24-32H,4-23H2,1-3H3.
What are the key properties of 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol?
5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol has a molecular weight of 446.80 g/mol, XLogP of 9.42, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol is sourced from PubChem (CID 140677372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).