(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid

C20H34O4 — CID 102066671

IUPAC(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
SMILESCCCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19+/m0/s1
InChIKeyNKUPFHTVILUPKF-JWMCRJAASA-N
MW338.49 g/mol
LogP4.38
Rot. Bonds15

About (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid

(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid (PubChem CID 102066671) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid.

Molecular Properties

Compound Name(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
PubChem CID102066671
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
SMILESCCCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19+/m0/s1
InChIKeyNKUPFHTVILUPKF-JWMCRJAASA-N
XLogP4.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,12R,14Z)-5,12-dihydroxyicosa-6,8,14-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

(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
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(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
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358
(8S,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 6610237
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(6Z,9S,12Z,15Z)-9-hydroxyicosa-6,12,15-trienoic acid
CID 10268093
(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 11667680

Frequently Asked Questions

What is the IUPAC name of (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid?
The IUPAC name of (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid (CID 102066671) is (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid.
What is the SMILES notation for (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid?
The canonical SMILES for (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid is CCCCC/C=C\C[C@H](O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O.
What is the InChIKey of (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid?
The InChIKey is NKUPFHTVILUPKF-JWMCRJAASA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19+/m0/s1.
What are the key properties of (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid?
(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid has a molecular weight of 338.49 g/mol, XLogP of 4.38, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid is sourced from PubChem (CID 102066671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).