15-hydroxyicosa-5,11,13-trienoic acid

C20H34O3 — CID 85054411

IUPAC15-hydroxyicosa-5,11,13-trienoic acid
SMILESCCCCCC(O)C=CC=CCCCCC=CCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h8-11,14,17,19,21H,2-7,12-13,15-16,18H2,1H3,(H,22,23)
InChIKeyWDBSOXIAOCSISV-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.41
Rot. Bonds15

About 15-hydroxyicosa-5,11,13-trienoic acid

15-hydroxyicosa-5,11,13-trienoic acid (PubChem CID 85054411) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 15-hydroxyicosa-5,11,13-trienoic acid.

Molecular Properties

Compound Name15-hydroxyicosa-5,11,13-trienoic acid
PubChem CID85054411
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name15-hydroxyicosa-5,11,13-trienoic acid
SMILESCCCCCC(O)C=CC=CCCCCC=CCCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h8-11,14,17,19,21H,2-7,12-13,15-16,18H2,1H3,(H,22,23)
InChIKeyWDBSOXIAOCSISV-UHFFFAOYSA-N
XLogP5.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 15-hydroxyicosa-5,11,13-trienoic acid?
The IUPAC name of 15-hydroxyicosa-5,11,13-trienoic acid (CID 85054411) is 15-hydroxyicosa-5,11,13-trienoic acid.
What is the SMILES notation for 15-hydroxyicosa-5,11,13-trienoic acid?
The canonical SMILES for 15-hydroxyicosa-5,11,13-trienoic acid is CCCCCC(O)C=CC=CCCCCC=CCCCC(=O)O.
What is the InChIKey of 15-hydroxyicosa-5,11,13-trienoic acid?
The InChIKey is WDBSOXIAOCSISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h8-11,14,17,19,21H,2-7,12-13,15-16,18H2,1H3,(H,22,23).
What are the key properties of 15-hydroxyicosa-5,11,13-trienoic acid?
15-hydroxyicosa-5,11,13-trienoic acid has a molecular weight of 322.49 g/mol, XLogP of 5.41, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxyicosa-5,11,13-trienoic acid is sourced from PubChem (CID 85054411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).