(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid

C23H36O4 — CID 170058257

IUPAC(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid
SMILESCCCCCC(/C=C/C=C\C/C=C\C=C\C(O)C/C=C\CCC(=O)O)CO
InChIInChI=1S/C23H36O4/c1-2-3-10-15-21(20-24)16-11-7-5-4-6-8-12-17-22(25)18-13-9-14-19-23(26)27/h5-9,11-13,16-17,21-22,24-25H,2-4,10,14-15,18-20H2,1H3,(H,26,27)/b7-5-,8-6-,13-9-,16-11+,17-12+
InChIKeyFGCQBOPVNCCVKH-VRPHVWDQSA-N
MW376.54 g/mol
LogP4.96
Rot. Bonds16

About (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid

(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid (PubChem CID 170058257) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid.

Molecular Properties

Compound Name(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid
PubChem CID170058257
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Name(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid
SMILESCCCCCC(/C=C/C=C\C/C=C\C=C\C(O)C/C=C\CCC(=O)O)CO
InChIInChI=1S/C23H36O4/c1-2-3-10-15-21(20-24)16-11-7-5-4-6-8-12-17-22(25)18-13-9-14-19-23(26)27/h5-9,11-13,16-17,21-22,24-25H,2-4,10,14-15,18-20H2,1H3,(H,26,27)/b7-5-,8-6-,13-9-,16-11+,17-12+
InChIKeyFGCQBOPVNCCVKH-VRPHVWDQSA-N
XLogP4.96
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.96
H-Bond Donors ≤ 53
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': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-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

7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130
(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
(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
(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
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358

Frequently Asked Questions

What is the IUPAC name of (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid?
The IUPAC name of (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid (CID 170058257) is (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid.
What is the SMILES notation for (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid?
The canonical SMILES for (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid is CCCCCC(/C=C/C=C\C/C=C\C=C\C(O)C/C=C\CCC(=O)O)CO.
What is the InChIKey of (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid?
The InChIKey is FGCQBOPVNCCVKH-VRPHVWDQSA-N. The full InChI is InChI=1S/C23H36O4/c1-2-3-10-15-21(20-24)16-11-7-5-4-6-8-12-17-22(25)18-13-9-14-19-23(26)27/h5-9,11-13,16-17,21-22,24-25H,2-4,10,14-15,18-20H2,1H3,(H,26,27)/b7-5-,8-6-,13-9-,16-11+,17-12+.
What are the key properties of (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid?
(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid has a molecular weight of 376.54 g/mol, XLogP of 4.96, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid is sourced from PubChem (CID 170058257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).