(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate

C20H31O3- — CID 119058170

IUPAC(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate
SMILESCCCC(O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/p-1/b5-3-,8-6-,11-9-,14-12-
InChIKeyOPPIPPRXLIDJKN-JPURVOHMSA-M
MW319.46 g/mol
LogP3.85
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate

(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate (PubChem CID 119058170) has the molecular formula C20H31O3- and a molecular weight of 319.46 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate
PubChem CID119058170
Molecular FormulaC20H31O3-
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate
SMILESCCCC(O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/p-1/b5-3-,8-6-,11-9-,14-12-
InChIKeyOPPIPPRXLIDJKN-JPURVOHMSA-M
XLogP3.85
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate 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

Arachidonic Acid
CID 444899
Icosapent
CID 446284
Ricinoleic Acid
CID 643684
20-Hydroxyeicosatetraenoic acid
CID 5283157
Methyl Ricinoleate
CID 5354133
12S-Hete
CID 5283155
Eicosapentaenoic Acid
CID 5282847
Potassium Ricinoleate
CID 23716429
(5Z,8Z,11Z)-14,15-Dihydroxyicosa-5,8,11-Trienoic Acid
CID 5283147
8(S)-Hete
CID 5283154
8,9-Epoxyeicosatrienoic acid
CID 5283203
Sodium Ricinoleate
CID 23687338

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate?
The IUPAC name of (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate (CID 119058170) is (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate?
The canonical SMILES for (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate is CCCC(O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].
What is the InChIKey of (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate?
The InChIKey is OPPIPPRXLIDJKN-JPURVOHMSA-M. The full InChI is InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/p-1/b5-3-,8-6-,11-9-,14-12-.
What are the key properties of (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate?
(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate has a molecular weight of 319.46 g/mol, XLogP of 3.85, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 119058170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).