1-octadecylcyclohexan-1-ol

C24H48O — CID 67204292

IUPAC1-octadecylcyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(25)22-19-17-20-23-24/h25H,2-23H2,1H3
InChIKeyHPZPKDDXUXELIU-UHFFFAOYSA-N
MW352.65 g/mol
LogP8.33
Rot. Bonds17

About 1-octadecylcyclohexan-1-ol

1-octadecylcyclohexan-1-ol (PubChem CID 67204292) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 1-octadecylcyclohexan-1-ol.

Molecular Properties

Compound Name1-octadecylcyclohexan-1-ol
PubChem CID67204292
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name1-octadecylcyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(25)22-19-17-20-23-24/h25H,2-23H2,1H3
InChIKeyHPZPKDDXUXELIU-UHFFFAOYSA-N
XLogP8.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-octadecylcyclohexan-1-ol?
The IUPAC name of 1-octadecylcyclohexan-1-ol (CID 67204292) is 1-octadecylcyclohexan-1-ol.
What is the SMILES notation for 1-octadecylcyclohexan-1-ol?
The canonical SMILES for 1-octadecylcyclohexan-1-ol is CCCCCCCCCCCCCCCCCCC1(O)CCCCC1.
What is the InChIKey of 1-octadecylcyclohexan-1-ol?
The InChIKey is HPZPKDDXUXELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(25)22-19-17-20-23-24/h25H,2-23H2,1H3.
What are the key properties of 1-octadecylcyclohexan-1-ol?
1-octadecylcyclohexan-1-ol has a molecular weight of 352.65 g/mol, XLogP of 8.33, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecylcyclohexan-1-ol is sourced from PubChem (CID 67204292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).