(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid

C20H32O3 — CID 5353268

IUPAC(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
SMILESCCCCC/C=C/C=C/C(O)C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7+,14-11+,16-13+
InChIKeyGCZRCCHPLVMMJE-JVNZAOJVSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds14

About (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid

(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid (PubChem CID 5353268) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
PubChem CID5353268
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
SMILESCCCCC/C=C/C=C/C(O)C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7+,14-11+,16-13+
InChIKeyGCZRCCHPLVMMJE-JVNZAOJVSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid with MolForge

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Related Compounds

(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335
(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 11667680
(4Z,6E,10Z,12Z,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 25020398
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(2Z,5Z,7E,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
CID 14056119
(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
CID 70698743
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358

Frequently Asked Questions

What is the IUPAC name of (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid?
The IUPAC name of (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid (CID 5353268) is (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid?
The canonical SMILES for (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid is CCCCC/C=C/C=C/C(O)C/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid?
The InChIKey is GCZRCCHPLVMMJE-JVNZAOJVSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6+,10-7+,14-11+,16-13+.
What are the key properties of (5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid?
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-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,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid is sourced from PubChem (CID 5353268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).