2-dodecyl-4-ethylcyclohexan-1-ol

C20H40O — CID 63461251

IUPAC2-dodecyl-4-ethylcyclohexan-1-ol
SMILESCCCCCCCCCCCCC1CC(CC)CCC1O
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-19-17-18(4-2)15-16-20(19)21/h18-21H,3-17H2,1-2H3
InChIKeyJGCUQOCPXOFDHW-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.48
Rot. Bonds12

About 2-dodecyl-4-ethylcyclohexan-1-ol

2-dodecyl-4-ethylcyclohexan-1-ol (PubChem CID 63461251) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-dodecyl-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-dodecyl-4-ethylcyclohexan-1-ol
PubChem CID63461251
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2-dodecyl-4-ethylcyclohexan-1-ol
SMILESCCCCCCCCCCCCC1CC(CC)CCC1O
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-19-17-18(4-2)15-16-20(19)21/h18-21H,3-17H2,1-2H3
InChIKeyJGCUQOCPXOFDHW-UHFFFAOYSA-N
XLogP6.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.48
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 2-dodecyl-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-dodecyl-4-ethylcyclohexan-1-ol (CID 63461251) is 2-dodecyl-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-dodecyl-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-dodecyl-4-ethylcyclohexan-1-ol is CCCCCCCCCCCCC1CC(CC)CCC1O.
What is the InChIKey of 2-dodecyl-4-ethylcyclohexan-1-ol?
The InChIKey is JGCUQOCPXOFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-19-17-18(4-2)15-16-20(19)21/h18-21H,3-17H2,1-2H3.
What are the key properties of 2-dodecyl-4-ethylcyclohexan-1-ol?
2-dodecyl-4-ethylcyclohexan-1-ol has a molecular weight of 296.54 g/mol, XLogP of 6.48, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 63461251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).