(15S)-15-hydroxyicosa-11,13-dienoic acid

C20H36O3 — CID 6610219

IUPAC(15S)-15-hydroxyicosa-11,13-dienoic acid
SMILESCCCCC[C@H](O)C=CC=CCCCCCCCCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyZTRWPEHMGCHTIT-IBGZPJMESA-N
MW324.50 g/mol
LogP5.64
Rot. Bonds16

About (15S)-15-hydroxyicosa-11,13-dienoic acid

(15S)-15-hydroxyicosa-11,13-dienoic acid (PubChem CID 6610219) has the molecular formula C20H36O3 and a molecular weight of 324.50 g/mol. Its IUPAC name is (15S)-15-hydroxyicosa-11,13-dienoic acid.

Molecular Properties

Compound Name(15S)-15-hydroxyicosa-11,13-dienoic acid
PubChem CID6610219
Molecular FormulaC20H36O3
Molecular Weight324.50 g/mol
Exact Mass324.27
IUPAC Name(15S)-15-hydroxyicosa-11,13-dienoic acid
SMILESCCCCC[C@H](O)C=CC=CCCCCCCCCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyZTRWPEHMGCHTIT-IBGZPJMESA-N
XLogP5.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 55.64
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'}

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Related Compounds

(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(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
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5S)-5-hydroxy-12-oxoicosa-6,8-dienoic acid
CID 3246861
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
heptacosa-12,14-dienoic acid
CID 172824582

Frequently Asked Questions

What is the IUPAC name of (15S)-15-hydroxyicosa-11,13-dienoic acid?
The IUPAC name of (15S)-15-hydroxyicosa-11,13-dienoic acid (CID 6610219) is (15S)-15-hydroxyicosa-11,13-dienoic acid.
What is the SMILES notation for (15S)-15-hydroxyicosa-11,13-dienoic acid?
The canonical SMILES for (15S)-15-hydroxyicosa-11,13-dienoic acid is CCCCC[C@H](O)C=CC=CCCCCCCCCCC(=O)O.
What is the InChIKey of (15S)-15-hydroxyicosa-11,13-dienoic acid?
The InChIKey is ZTRWPEHMGCHTIT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (15S)-15-hydroxyicosa-11,13-dienoic acid?
(15S)-15-hydroxyicosa-11,13-dienoic acid has a molecular weight of 324.50 g/mol, XLogP of 5.64, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15S)-15-hydroxyicosa-11,13-dienoic acid is sourced from PubChem (CID 6610219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).