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

C26H48O — CID 140677441

IUPAC4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
SMILESCCC1CCC(C2CCC(C3CCC(CCCCO)CC3)C(CC)C2)CC1
InChIInChI=1S/C26H48O/c1-3-20-8-12-23(13-9-20)25-16-17-26(22(4-2)19-25)24-14-10-21(11-15-24)7-5-6-18-27/h20-27H,3-19H2,1-2H3
InChIKeyLSSHPHWVSMCUBB-UHFFFAOYSA-N
MW376.67 g/mol
LogP7.61
Rot. Bonds8

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

4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol (PubChem CID 140677441) has the molecular formula C26H48O and a molecular weight of 376.67 g/mol. Its IUPAC name is 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
PubChem CID140677441
Molecular FormulaC26H48O
Molecular Weight376.67 g/mol
Exact Mass376.37
IUPAC Name4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
SMILESCCC1CCC(C2CCC(C3CCC(CCCCO)CC3)C(CC)C2)CC1
InChIInChI=1S/C26H48O/c1-3-20-8-12-23(13-9-20)25-16-17-26(22(4-2)19-25)24-14-10-21(11-15-24)7-5-6-18-27/h20-27H,3-19H2,1-2H3
InChIKeyLSSHPHWVSMCUBB-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 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol with MolForge

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Related Compounds

5-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 118147229
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
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
4-[3-ethyl-4-[2-ethyl-4-[(4-propylcyclohexyl)methoxy]cyclohexyl]cyclohexyl]butan-1-ol
CID 140677431
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 88928391
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
CID 70489412

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol?
The IUPAC name of 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol (CID 140677441) is 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol.
What is the SMILES notation for 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol?
The canonical SMILES for 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol is CCC1CCC(C2CCC(C3CCC(CCCCO)CC3)C(CC)C2)CC1.
What is the InChIKey of 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol?
The InChIKey is LSSHPHWVSMCUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48O/c1-3-20-8-12-23(13-9-20)25-16-17-26(22(4-2)19-25)24-14-10-21(11-15-24)7-5-6-18-27/h20-27H,3-19H2,1-2H3.
What are the key properties of 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol?
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-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 4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol is sourced from PubChem (CID 140677441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).