(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid

C18H30O3 — CID 10469728

IUPAC(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
SMILESCC/C=C\CC(O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
InChIKeyKLLGGGQNRTVBSU-JDTPQGGVSA-N
MW294.44 g/mol
LogP4.63
Rot. Bonds13

About (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid

(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid (PubChem CID 10469728) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid.

Molecular Properties

Compound Name(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
PubChem CID10469728
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
SMILESCC/C=C\CC(O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
InChIKeyKLLGGGQNRTVBSU-JDTPQGGVSA-N
XLogP4.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-11,13,15,19-tetraenoic acid
CID 135226178
methyl (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoate
CID 10448018
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
CID 11588593
(9Z,11E,13S,15E)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
CID 101044248
(13R)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
CID 71355571
(9E,11E,15E)-13-hydroperoxyoctadeca-9,11,15-trienoic acid
CID 6440263

Frequently Asked Questions

What is the IUPAC name of (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid?
The IUPAC name of (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid (CID 10469728) is (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid.
What is the SMILES notation for (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid?
The canonical SMILES for (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid is CC/C=C\CC(O)/C=C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid?
The InChIKey is KLLGGGQNRTVBSU-JDTPQGGVSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+.
What are the key properties of (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid?
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid has a molecular weight of 294.44 g/mol, XLogP of 4.63, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid is sourced from PubChem (CID 10469728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).