14-methyldocos-4-en-1-yn-3-ol

C23H42O — CID 1658

IUPAC14-methyldocos-4-en-1-yn-3-ol
SMILESC#CC(O)C=CCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C23H42O/c1-4-6-7-8-13-16-19-22(3)20-17-14-11-9-10-12-15-18-21-23(24)5-2/h2,18,21-24H,4,6-17,19-20H2,1,3H3
InChIKeyOJSONOXLRPJULC-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.04
Rot. Bonds17

About 14-methyldocos-4-en-1-yn-3-ol

14-methyldocos-4-en-1-yn-3-ol (PubChem CID 1658) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 14-methyldocos-4-en-1-yn-3-ol.

Molecular Properties

Compound Name14-methyldocos-4-en-1-yn-3-ol
PubChem CID1658
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name14-methyldocos-4-en-1-yn-3-ol
SMILESC#CC(O)C=CCCCCCCCCC(C)CCCCCCCC
InChIInChI=1S/C23H42O/c1-4-6-7-8-13-16-19-22(3)20-17-14-11-9-10-12-15-18-21-23(24)5-2/h2,18,21-24H,4,6-17,19-20H2,1,3H3
InChIKeyOJSONOXLRPJULC-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.04
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-methyldocos-4-en-1-yn-3-ol?
The IUPAC name of 14-methyldocos-4-en-1-yn-3-ol (CID 1658) is 14-methyldocos-4-en-1-yn-3-ol.
What is the SMILES notation for 14-methyldocos-4-en-1-yn-3-ol?
The canonical SMILES for 14-methyldocos-4-en-1-yn-3-ol is C#CC(O)C=CCCCCCCCCC(C)CCCCCCCC.
What is the InChIKey of 14-methyldocos-4-en-1-yn-3-ol?
The InChIKey is OJSONOXLRPJULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-4-6-7-8-13-16-19-22(3)20-17-14-11-9-10-12-15-18-21-23(24)5-2/h2,18,21-24H,4,6-17,19-20H2,1,3H3.
What are the key properties of 14-methyldocos-4-en-1-yn-3-ol?
14-methyldocos-4-en-1-yn-3-ol has a molecular weight of 334.59 g/mol, XLogP of 7.04, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyldocos-4-en-1-yn-3-ol is sourced from PubChem (CID 1658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).