(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate

C20H31O4- — CID 122164872

IUPAC(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate
SMILESCCCCC/C=C\CC(=O)CC/C=C/C=C\[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,15-11-/t19-/m1/s1
InChIKeyAHHXLFNPCWCNQF-WWIKSGRJSA-M
MW335.46 g/mol
LogP3.26
Rot. Bonds15

About (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate

(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate (PubChem CID 122164872) has the molecular formula C20H31O4- and a molecular weight of 335.46 g/mol. Its IUPAC name is (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate.

Molecular Properties

Compound Name(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate
PubChem CID122164872
Molecular FormulaC20H31O4-
Molecular Weight335.46 g/mol
Exact Mass335.22
IUPAC Name(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate
SMILESCCCCC/C=C\CC(=O)CC/C=C/C=C\[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,15-11-/t19-/m1/s1
InChIKeyAHHXLFNPCWCNQF-WWIKSGRJSA-M
XLogP3.26
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate 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

(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
sodium (5Z,8Z,11Z,13E)-15-hydroxynonadeca-5,8,11,13-tetraenoate
CID 23694179
(Z)-11-hydroxyoctadec-9-enoate
CID 171037416
(5S)-5-hydroxy-12-oxoicosa-6,8-dienoic acid
CID 3246861
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
potassium (10E,12E)-octadeca-10,12-dienoate
CID 101366415
(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
CID 102066671
(6E,8E,10E,14E)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
CID 6285743

Frequently Asked Questions

What is the IUPAC name of (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate?
The IUPAC name of (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate (CID 122164872) is (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate.
What is the SMILES notation for (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate?
The canonical SMILES for (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate is CCCCC/C=C\CC(=O)CC/C=C/C=C\[C@@H](O)CCCC(=O)[O-].
What is the InChIKey of (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate?
The InChIKey is AHHXLFNPCWCNQF-WWIKSGRJSA-M. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,15-11-/t19-/m1/s1.
What are the key properties of (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate?
(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate has a molecular weight of 335.46 g/mol, XLogP of 3.26, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoate is sourced from PubChem (CID 122164872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).