(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid

C20H32O3 — CID 19849796

IUPAC(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
SMILESO=C(O)CCCC/C=C/C=C/C/C=C/C/C=C/CCCCCO
InChIInChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-10,21H,2,5,11-19H2,(H,22,23)/b3-1+,6-4+,9-7+,10-8+
InChIKeyODSUXIUVSUFEOW-YELNNXFYSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds15

About (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid

(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid (PubChem CID 19849796) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
PubChem CID19849796
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
SMILESO=C(O)CCCC/C=C/C=C/C/C=C/C/C=C/CCCCCO
InChIInChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-10,21H,2,5,11-19H2,(H,22,23)/b3-1+,6-4+,9-7+,10-8+
InChIKeyODSUXIUVSUFEOW-YELNNXFYSA-N
XLogP5.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(9Z,12Z,15Z)-18-hydroxyoctadeca-9,12,15-trienoic acid
CID 87227113
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
octadeca-6,9,11-trienoic acid
CID 85068576
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
(5E,9E,11E,14E,17E)-20-hydroxyicosa-5,9,11,14,17-pentaenoic acid
CID 91873595

Frequently Asked Questions

What is the IUPAC name of (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid?
The IUPAC name of (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid (CID 19849796) is (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid.
What is the SMILES notation for (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid?
The canonical SMILES for (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid is O=C(O)CCCC/C=C/C=C/C/C=C/C/C=C/CCCCCO.
What is the InChIKey of (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid?
The InChIKey is ODSUXIUVSUFEOW-YELNNXFYSA-N. The full InChI is InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-10,21H,2,5,11-19H2,(H,22,23)/b3-1+,6-4+,9-7+,10-8+.
What are the key properties of (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid?
(6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 5.19, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,11E,14E)-20-hydroxyicosa-6,8,11,14-tetraenoic acid is sourced from PubChem (CID 19849796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).