(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid

C14H24O3 — CID 12988295

IUPAC(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
SMILESC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h5,7,9,11,13,15H,2-4,6,8,10,12H2,1H3,(H,16,17)/b7-5-,11-9+/t13-/m0/s1
InChIKeyCBOXBMKFTLUXRJ-RHJRHMSCSA-N
MW240.34 g/mol
LogP3.29
Rot. Bonds10

About (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid

(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid (PubChem CID 12988295) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid.

Molecular Properties

Compound Name(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
PubChem CID12988295
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
SMILESC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h5,7,9,11,13,15H,2-4,6,8,10,12H2,1H3,(H,16,17)/b7-5-,11-9+/t13-/m0/s1
InChIKeyCBOXBMKFTLUXRJ-RHJRHMSCSA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic 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

(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
CID 20579712
(Z)-7-[(2Z,4E)-6-hydroxyhepta-2,4-dienyl]sulfanylhept-5-enoic acid
CID 59977211
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(9E,11E)-13,13-dimethoxytrideca-9,11-dienoic acid
CID 11011065
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
heptacosa-12,14-dienoic acid
CID 172824582
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
dodeca-7,9-dienoic acid
CID 78383934

Frequently Asked Questions

What is the IUPAC name of (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid?
The IUPAC name of (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid (CID 12988295) is (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid.
What is the SMILES notation for (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid?
The canonical SMILES for (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid is C[C@H](O)/C=C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid?
The InChIKey is CBOXBMKFTLUXRJ-RHJRHMSCSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h5,7,9,11,13,15H,2-4,6,8,10,12H2,1H3,(H,16,17)/b7-5-,11-9+/t13-/m0/s1.
What are the key properties of (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid?
(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid is sourced from PubChem (CID 12988295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).