(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid

C20H32O3 — CID 56947094

IUPAC(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C=C/C(=O)CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14-
InChIKeyULMVEQWNDGUUBR-IEQFDQMRSA-N
MW320.47 g/mol
LogP5.62
Rot. Bonds15

About (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid

(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid (PubChem CID 56947094) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid.

Molecular Properties

Compound Name(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid
PubChem CID56947094
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C=C/C(=O)CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14-
InChIKeyULMVEQWNDGUUBR-IEQFDQMRSA-N
XLogP5.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z,8Z,11Z)-5-oxoicosa-6,8,11-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

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid?
The IUPAC name of (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid (CID 56947094) is (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid.
What is the SMILES notation for (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid?
The canonical SMILES for (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid is CCCCCCCC/C=C\C/C=C\C=C/C(=O)CCCC(=O)O.
What is the InChIKey of (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid?
The InChIKey is ULMVEQWNDGUUBR-IEQFDQMRSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14-.
What are the key properties of (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid?
(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid has a molecular weight of 320.47 g/mol, XLogP of 5.62, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid is sourced from PubChem (CID 56947094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).