(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid

C22H34O4 — CID 88911142

IUPAC(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid
SMILESCC/C=C\C/C=C\CC(O)C(O)/C=C\C(C)/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O4/c1-3-4-5-6-9-12-15-20(23)21(24)18-17-19(2)14-11-8-7-10-13-16-22(25)26/h4-5,7,9-12,14,17-21,23-24H,3,6,8,13,15-16H2,1-2H3,(H,25,26)/b5-4-,10-7-,12-9-,14-11-,18-17-
InChIKeyUCNZJRZLMUJHPI-BUPLHGNQSA-N
MW362.51 g/mol
LogP4.57
Rot. Bonds14

About (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid

(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid (PubChem CID 88911142) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid
PubChem CID88911142
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid
SMILESCC/C=C\C/C=C\CC(O)C(O)/C=C\C(C)/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O4/c1-3-4-5-6-9-12-15-20(23)21(24)18-17-19(2)14-11-8-7-10-13-16-22(25)26/h4-5,7,9-12,14,17-21,23-24H,3,6,8,13,15-16H2,1-2H3,(H,25,26)/b5-4-,10-7-,12-9-,14-11-,18-17-
InChIKeyUCNZJRZLMUJHPI-BUPLHGNQSA-N
XLogP4.57
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-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

(4Z,7Z,10R,11S,13Z,16Z,19Z)-10,11-dihydroxydocosa-4,7,13,16,19-pentaenoic acid
CID 129364490
(17S)-16,17-dihydroxydocosa-4,7,10,12,14,19-hexaenoic acid
CID 123794420
(13R,14S)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
CID 171317835
(4E,7E,9E,11E,16E,19E)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid
CID 46872053
(4E,7R,8E,10E,12E,14E,17R,19E)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
CID 101493286
(4E,7S,8E,10E,12E,14E,16R,17S,19E)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
CID 90658951
(4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid
CID 11383310
(4Z,7S,8R,9Z,11Z,13E,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
CID 35021420
(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
CID 6439933
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid?
The IUPAC name of (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid (CID 88911142) is (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid.
What is the SMILES notation for (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid?
The canonical SMILES for (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid is CC/C=C\C/C=C\CC(O)C(O)/C=C\C(C)/C=C\C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid?
The InChIKey is UCNZJRZLMUJHPI-BUPLHGNQSA-N. The full InChI is InChI=1S/C22H34O4/c1-3-4-5-6-9-12-15-20(23)21(24)18-17-19(2)14-11-8-7-10-13-16-22(25)26/h4-5,7,9-12,14,17-21,23-24H,3,6,8,13,15-16H2,1-2H3,(H,25,26)/b5-4-,10-7-,12-9-,14-11-,18-17-.
What are the key properties of (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid?
(4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid has a molecular weight of 362.51 g/mol, XLogP of 4.57, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,15Z,18Z)-12,13-dihydroxy-9-methylhenicosa-4,7,10,15,18-pentaenoic acid is sourced from PubChem (CID 88911142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).