(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid

C20H32O3 — CID 22398295

IUPAC(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC(O)/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9+,17-14+
InChIKeyJEKNPVYFNMZRJG-NLORQXDXSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds14

About (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid

(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid (PubChem CID 22398295) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
PubChem CID22398295
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC(O)/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9+,17-14+
InChIKeyJEKNPVYFNMZRJG-NLORQXDXSA-N
XLogP5.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.19
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'}

Analyze (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic 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

(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
CID 59098331
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid (CID 22398295) is (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid is CCCCC(O)/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid?
The InChIKey is JEKNPVYFNMZRJG-NLORQXDXSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9+,17-14+.
What are the key properties of (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid?
(5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 5.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E)-16-hydroxyicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 22398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).