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

C27H50O — CID 118147229

IUPAC5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCC1CCC(C2CCC(C3CCC(CCCCCO)CC3)C(CC)C2)CC1
InChIInChI=1S/C27H50O/c1-3-21-9-13-24(14-10-21)26-17-18-27(23(4-2)20-26)25-15-11-22(12-16-25)8-6-5-7-19-28/h21-28H,3-20H2,1-2H3
InChIKeyARLJPHJIJNQDCN-UHFFFAOYSA-N
MW390.70 g/mol
LogP8.00
Rot. Bonds9

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

5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol (PubChem CID 118147229) has the molecular formula C27H50O and a molecular weight of 390.70 g/mol. Its IUPAC name is 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
PubChem CID118147229
Molecular FormulaC27H50O
Molecular Weight390.70 g/mol
Exact Mass390.39
IUPAC Name5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
SMILESCCC1CCC(C2CCC(C3CCC(CCCCCO)CC3)C(CC)C2)CC1
InChIInChI=1S/C27H50O/c1-3-21-9-13-24(14-10-21)26-17-18-27(23(4-2)20-26)25-15-11-22(12-16-25)8-6-5-7-19-28/h21-28H,3-20H2,1-2H3
InChIKeyARLJPHJIJNQDCN-UHFFFAOYSA-N
XLogP8.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)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

4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
5-[3-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677376
5-[3-ethyl-4-[2-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]pentan-1-ol
CID 140677372
2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
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-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
4-[3-ethyl-4-[2-ethyl-4-[(4-propylcyclohexyl)methoxy]cyclohexyl]cyclohexyl]butan-1-ol
CID 140677431
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
CID 70489412
6-[(1R,2R)-2-cyclopropylcyclopropyl]hexan-1-ol
CID 10631306
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 88928391

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The IUPAC name of 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol (CID 118147229) is 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol.
What is the SMILES notation for 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The canonical SMILES for 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol is CCC1CCC(C2CCC(C3CCC(CCCCCO)CC3)C(CC)C2)CC1.
What is the InChIKey of 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
The InChIKey is ARLJPHJIJNQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O/c1-3-21-9-13-24(14-10-21)26-17-18-27(23(4-2)20-26)25-15-11-22(12-16-25)8-6-5-7-19-28/h21-28H,3-20H2,1-2H3.
What are the key properties of 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol?
5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol has a molecular weight of 390.70 g/mol, XLogP of 8.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol is sourced from PubChem (CID 118147229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).