2,6-dimethyloctadec-2-en-6-ol

C20H40O — CID 134843953

IUPAC2,6-dimethyloctadec-2-en-6-ol
SMILESCCCCCCCCCCCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C20H40O/c1-5-6-7-8-9-10-11-12-13-14-17-20(4,21)18-15-16-19(2)3/h16,21H,5-15,17-18H2,1-4H3
InChIKeyZPFZHRNYYRDMEE-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.79
Rot. Bonds14

About 2,6-dimethyloctadec-2-en-6-ol

2,6-dimethyloctadec-2-en-6-ol (PubChem CID 134843953) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2,6-dimethyloctadec-2-en-6-ol.

Molecular Properties

Compound Name2,6-dimethyloctadec-2-en-6-ol
PubChem CID134843953
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2,6-dimethyloctadec-2-en-6-ol
SMILESCCCCCCCCCCCCC(C)(O)CCC=C(C)C
InChIInChI=1S/C20H40O/c1-5-6-7-8-9-10-11-12-13-14-17-20(4,21)18-15-16-19(2)3/h16,21H,5-15,17-18H2,1-4H3
InChIKeyZPFZHRNYYRDMEE-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloctadec-2-en-6-ol?
The IUPAC name of 2,6-dimethyloctadec-2-en-6-ol (CID 134843953) is 2,6-dimethyloctadec-2-en-6-ol.
What is the SMILES notation for 2,6-dimethyloctadec-2-en-6-ol?
The canonical SMILES for 2,6-dimethyloctadec-2-en-6-ol is CCCCCCCCCCCCC(C)(O)CCC=C(C)C.
What is the InChIKey of 2,6-dimethyloctadec-2-en-6-ol?
The InChIKey is ZPFZHRNYYRDMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-5-6-7-8-9-10-11-12-13-14-17-20(4,21)18-15-16-19(2)3/h16,21H,5-15,17-18H2,1-4H3.
What are the key properties of 2,6-dimethyloctadec-2-en-6-ol?
2,6-dimethyloctadec-2-en-6-ol has a molecular weight of 296.54 g/mol, XLogP of 6.79, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloctadec-2-en-6-ol is sourced from PubChem (CID 134843953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).