1-pentadecylcyclohexan-1-ol

C21H42O — CID 121284790

IUPAC1-pentadecylcyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(22)19-16-14-17-20-21/h22H,2-20H2,1H3
InChIKeyWZEDXSDZPVIGOB-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.16
Rot. Bonds14

About 1-pentadecylcyclohexan-1-ol

1-pentadecylcyclohexan-1-ol (PubChem CID 121284790) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-pentadecylcyclohexan-1-ol.

Molecular Properties

Compound Name1-pentadecylcyclohexan-1-ol
PubChem CID121284790
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name1-pentadecylcyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(22)19-16-14-17-20-21/h22H,2-20H2,1H3
InChIKeyWZEDXSDZPVIGOB-UHFFFAOYSA-N
XLogP7.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.16
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-pentadecylcyclohexan-1-ol?
The IUPAC name of 1-pentadecylcyclohexan-1-ol (CID 121284790) is 1-pentadecylcyclohexan-1-ol.
What is the SMILES notation for 1-pentadecylcyclohexan-1-ol?
The canonical SMILES for 1-pentadecylcyclohexan-1-ol is CCCCCCCCCCCCCCCC1(O)CCCCC1.
What is the InChIKey of 1-pentadecylcyclohexan-1-ol?
The InChIKey is WZEDXSDZPVIGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(22)19-16-14-17-20-21/h22H,2-20H2,1H3.
What are the key properties of 1-pentadecylcyclohexan-1-ol?
1-pentadecylcyclohexan-1-ol has a molecular weight of 310.57 g/mol, XLogP of 7.16, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecylcyclohexan-1-ol is sourced from PubChem (CID 121284790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).