(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid

C20H28O4 — CID 14016627

IUPAC(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid
SMILESCC/C=C/C(=O)/C=C/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H28O4/c1-2-3-13-18(21)15-11-12-16-19(22)14-9-7-5-4-6-8-10-17-20(23)24/h3-4,6-7,9,11-13,15-16,19,22H,2,5,8,10,14,17H2,1H3,(H,23,24)/b6-4-,9-7-,13-3+,15-11+,16-12+
InChIKeyZHQGOCLBNWZRIU-YAPLNPGCSA-N
MW332.44 g/mol
LogP4.14
Rot. Bonds13

About (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid

(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid (PubChem CID 14016627) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid.

Molecular Properties

Compound Name(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid
PubChem CID14016627
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid
SMILESCC/C=C/C(=O)/C=C/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H28O4/c1-2-3-13-18(21)15-11-12-16-19(22)14-9-7-5-4-6-8-10-17-20(23)24/h3-4,6-7,9,11-13,15-16,19,22H,2,5,8,10,14,17H2,1H3,(H,23,24)/b6-4-,9-7-,13-3+,15-11+,16-12+
InChIKeyZHQGOCLBNWZRIU-YAPLNPGCSA-N
XLogP4.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic 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

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
(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
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid?
The IUPAC name of (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid (CID 14016627) is (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid.
What is the SMILES notation for (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid?
The canonical SMILES for (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid is CC/C=C/C(=O)/C=C/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid?
The InChIKey is ZHQGOCLBNWZRIU-YAPLNPGCSA-N. The full InChI is InChI=1S/C20H28O4/c1-2-3-13-18(21)15-11-12-16-19(22)14-9-7-5-4-6-8-10-17-20(23)24/h3-4,6-7,9,11-13,15-16,19,22H,2,5,8,10,14,17H2,1H3,(H,23,24)/b6-4-,9-7-,13-3+,15-11+,16-12+.
What are the key properties of (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid?
(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid has a molecular weight of 332.44 g/mol, XLogP of 4.14, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid is sourced from PubChem (CID 14016627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).