14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate

C32H60O3 — CID 170564253

IUPAC14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCO
InChIInChI=1S/C32H60O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(34)35-31-28-25-22-19-16-13-12-15-18-21-24-27-30-33/h6-7,9-10,33H,2-5,8,11-31H2,1H3/b7-6-,10-9-
InChIKeyHGDUIQVOCXGFGQ-HZJYTTRNSA-N
MW492.83 g/mol
LogP10.02
Rot. Bonds28

About 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate

14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate (PubChem CID 170564253) has the molecular formula C32H60O3 and a molecular weight of 492.83 g/mol. Its IUPAC name is 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate.

Molecular Properties

Compound Name14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate
PubChem CID170564253
Molecular FormulaC32H60O3
Molecular Weight492.83 g/mol
Exact Mass492.45
IUPAC Name14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCO
InChIInChI=1S/C32H60O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(34)35-31-28-25-22-19-16-13-12-15-18-21-24-27-30-33/h6-7,9-10,33H,2-5,8,11-31H2,1H3/b7-6-,10-9-
InChIKeyHGDUIQVOCXGFGQ-HZJYTTRNSA-N
XLogP10.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.83
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-hydroxypentadecyl (9Z,12Z)-octadeca-9,12-dienoate
CID 166097713
29-hydroxynonacosyl (9Z,12Z)-octadeca-9,12-dienoate
CID 166098254
13-hydroxytridecyl tetracos-15-enoate
CID 166098217
29-hydroxynonacosyl (Z)-octadec-9-enoate
CID 166098493
25-hydroxypentacosyl icos-13-enoate
CID 166097569
19-hydroxynonadecyl icos-13-enoate
CID 166097726
27-hydroxyheptacosyl icos-11-enoate
CID 170564361
19-hydroxynonadecyl (Z)-hexadec-9-enoate
CID 166097732
32-hydroxydotriacontyl icos-13-enoate
CID 166098294
4-hydroxybutyl (Z)-octadec-9-enoate
CID 6432871
hexadecyl (9Z,12Z)-octadeca-9,12-dienoate
CID 6436521
nonacosyl (9Z,12Z)-octadeca-9,12-dienoate
CID 166097965

Frequently Asked Questions

What is the IUPAC name of 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate?
The IUPAC name of 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate (CID 170564253) is 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate.
What is the SMILES notation for 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate?
The canonical SMILES for 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate is CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCO.
What is the InChIKey of 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate?
The InChIKey is HGDUIQVOCXGFGQ-HZJYTTRNSA-N. The full InChI is InChI=1S/C32H60O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(34)35-31-28-25-22-19-16-13-12-15-18-21-24-27-30-33/h6-7,9-10,33H,2-5,8,11-31H2,1H3/b7-6-,10-9-.
What are the key properties of 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate?
14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate has a molecular weight of 492.83 g/mol, XLogP of 10.02, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxytetradecyl (9Z,12Z)-octadeca-9,12-dienoate is sourced from PubChem (CID 170564253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).