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

C26H48O — CID 140677376

IUPAC5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCC1CC(CCCCCO)CCC1C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C26H48O/c1-3-22-19-21(7-5-4-6-18-27)10-17-26(22)25-15-13-24(14-16-25)23-11-8-20(2)9-12-23/h20-27H,3-19H2,1-2H3
InChIKeyCUXLYZHJHUNNPG-UHFFFAOYSA-N
MW376.67 g/mol
LogP7.61
Rot. Bonds8

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

5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol (PubChem CID 140677376) has the molecular formula C26H48O and a molecular weight of 376.67 g/mol. Its IUPAC name is 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
PubChem CID140677376
Molecular FormulaC26H48O
Molecular Weight376.67 g/mol
Exact Mass376.37
IUPAC Name5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCC1CC(CCCCCO)CCC1C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C26H48O/c1-3-22-19-21(7-5-4-6-18-27)10-17-26(22)25-15-13-24(14-16-25)23-11-8-20(2)9-12-23/h20-27H,3-19H2,1-2H3
InChIKeyCUXLYZHJHUNNPG-UHFFFAOYSA-N
XLogP7.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 57.61
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-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol with MolForge

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Related Compounds

5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677372
3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 140677444
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
4-[3-ethyl-4-[2-ethyl-4-[(4-propylcyclohexyl)methoxy]cyclohexyl]cyclohexyl]butan-1-ol
CID 140677431
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
3-[4-[4-[(4-butylcyclohexyl)methoxy]-2-ethylcyclohexyl]-3-ethylcyclohexyl]propan-1-ol
CID 140677434
5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The IUPAC name of 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol (CID 140677376) is 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol.
What is the SMILES notation for 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The canonical SMILES for 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol is CCC1CC(CCCCCO)CCC1C1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The InChIKey is CUXLYZHJHUNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O/c1-3-22-19-21(7-5-4-6-18-27)10-17-26(22)25-15-13-24(14-16-25)23-11-8-20(2)9-12-23/h20-27H,3-19H2,1-2H3.
What are the key properties of 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol has a molecular weight of 376.67 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol is sourced from PubChem (CID 140677376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).