(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol

C19H36O — CID 5364411

IUPAC(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol
SMILESCC/C=C\C(C)CCCCCCCCCC/C=C/CO
InChIInChI=1S/C19H36O/c1-3-4-16-19(2)17-14-12-10-8-6-5-7-9-11-13-15-18-20/h4,13,15-16,19-20H,3,5-12,14,17-18H2,1-2H3/b15-13+,16-4-
InChIKeyYRNXEZHGFXYCNB-OBDKPFBMSA-N
MW280.50 g/mol
LogP6.04
Rot. Bonds14

About (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol

(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol (PubChem CID 5364411) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol.

Molecular Properties

Compound Name(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol
PubChem CID5364411
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol
SMILESCC/C=C\C(C)CCCCCCCCCC/C=C/CO
InChIInChI=1S/C19H36O/c1-3-4-16-19(2)17-14-12-10-8-6-5-7-9-11-13-15-18-20/h4,13,15-16,19-20H,3,5-12,14,17-18H2,1-2H3/b15-13+,16-4-
InChIKeyYRNXEZHGFXYCNB-OBDKPFBMSA-N
XLogP6.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.04
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol?
The IUPAC name of (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol (CID 5364411) is (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol.
What is the SMILES notation for (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol?
The canonical SMILES for (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol is CC/C=C\C(C)CCCCCCCCCC/C=C/CO.
What is the InChIKey of (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol?
The InChIKey is YRNXEZHGFXYCNB-OBDKPFBMSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-16-19(2)17-14-12-10-8-6-5-7-9-11-13-15-18-20/h4,13,15-16,19-20H,3,5-12,14,17-18H2,1-2H3/b15-13+,16-4-.
What are the key properties of (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol?
(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol has a molecular weight of 280.50 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,15Z)-14-methyloctadeca-2,15-dien-1-ol is sourced from PubChem (CID 5364411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).