5-hydroxyicosa-5,8,11,13-tetraenoic acid

C20H32O3 — CID 73446833

IUPAC5-hydroxyicosa-5,8,11,13-tetraenoic acid
SMILESCCCCCCC=CC=CCC=CCC=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/h7-10,12-13,16,21H,2-6,11,14-15,17-18H2,1H3,(H,22,23)
InChIKeyMTGWUFJIQIOISS-UHFFFAOYSA-N
MW320.47 g/mol
LogP6.10
Rot. Bonds14

About 5-hydroxyicosa-5,8,11,13-tetraenoic acid

5-hydroxyicosa-5,8,11,13-tetraenoic acid (PubChem CID 73446833) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 5-hydroxyicosa-5,8,11,13-tetraenoic acid.

Molecular Properties

Compound Name5-hydroxyicosa-5,8,11,13-tetraenoic acid
PubChem CID73446833
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name5-hydroxyicosa-5,8,11,13-tetraenoic acid
SMILESCCCCCCC=CC=CCC=CCC=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/h7-10,12-13,16,21H,2-6,11,14-15,17-18H2,1H3,(H,22,23)
InChIKeyMTGWUFJIQIOISS-UHFFFAOYSA-N
XLogP6.10
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 ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Related Compounds

(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576
(5Z,8Z,11Z,14E)-15-hydroxyicosa-5,8,11,14-tetraenoic acid
CID 88671116
(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
CID 100915198
5-oxoicosa-8,11,13-trienoic acid
CID 54127161
octadeca-6,9,12-trienoic acid;(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;bis(octadeca-9,11,13-trienoic acid)
CID 161443893
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
pentadeca-5,7-dienoic acid
CID 123590047

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyicosa-5,8,11,13-tetraenoic acid?
The IUPAC name of 5-hydroxyicosa-5,8,11,13-tetraenoic acid (CID 73446833) is 5-hydroxyicosa-5,8,11,13-tetraenoic acid.
What is the SMILES notation for 5-hydroxyicosa-5,8,11,13-tetraenoic acid?
The canonical SMILES for 5-hydroxyicosa-5,8,11,13-tetraenoic acid is CCCCCCC=CC=CCC=CCC=C(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxyicosa-5,8,11,13-tetraenoic acid?
The InChIKey is MTGWUFJIQIOISS-UHFFFAOYSA-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/h7-10,12-13,16,21H,2-6,11,14-15,17-18H2,1H3,(H,22,23).
What are the key properties of 5-hydroxyicosa-5,8,11,13-tetraenoic acid?
5-hydroxyicosa-5,8,11,13-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 6.10, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyicosa-5,8,11,13-tetraenoic acid is sourced from PubChem (CID 73446833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).