(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one

C23H34O3 — CID 87067085

IUPAC(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one
SMILESCCC(O)/C=C/C=C\C/C=C\C=C/C(O)C/C=C\C/C=C\CCC(C)=O
InChIInChI=1S/C23H34O3/c1-3-22(25)18-14-10-5-4-6-11-15-19-23(26)20-16-12-8-7-9-13-17-21(2)24/h5-7,9-12,14-16,18-19,22-23,25-26H,3-4,8,13,17,20H2,1-2H3/b9-7-,10-5-,11-6-,16-12-,18-14+,19-15-
InChIKeyOEDYKXMSMWAEOH-PITVISLESA-N
MW358.52 g/mol
LogP4.99
Rot. Bonds14

About (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one

(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one (PubChem CID 87067085) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one.

Molecular Properties

Compound Name(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one
PubChem CID87067085
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one
SMILESCCC(O)/C=C/C=C\C/C=C\C=C/C(O)C/C=C\C/C=C\CCC(C)=O
InChIInChI=1S/C23H34O3/c1-3-22(25)18-14-10-5-4-6-11-15-19-23(26)20-16-12-8-7-9-13-17-21(2)24/h5-7,9-12,14-16,18-19,22-23,25-26H,3-4,8,13,17,20H2,1-2H3/b9-7-,10-5-,11-6-,16-12-,18-14+,19-15-
InChIKeyOEDYKXMSMWAEOH-PITVISLESA-N
XLogP4.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one 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,10Z,12E,14S,16Z,18E,20S)-14,20-dihydroxydocosa-4,7,10,12,16,18-hexaenoic acid
CID 102313472
(4Z,7Z,10Z,13R,14E,16Z,18E,20R)-13,20-dihydroxydocosa-4,7,10,14,16,18-hexaenoic acid
CID 87059786
(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,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
CID 70698743
(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
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate
CID 146681088
methyl (4Z,7Z,10S,11E,13Z,16Z,19Z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoate
CID 100975958
methyl (4Z,7Z,10R,11E,13Z,16Z,19Z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoate
CID 100975957
7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921994

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one?
The IUPAC name of (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one (CID 87067085) is (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one.
What is the SMILES notation for (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one?
The canonical SMILES for (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one is CCC(O)/C=C/C=C\C/C=C\C=C/C(O)C/C=C\C/C=C\CCC(C)=O.
What is the InChIKey of (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one?
The InChIKey is OEDYKXMSMWAEOH-PITVISLESA-N. The full InChI is InChI=1S/C23H34O3/c1-3-22(25)18-14-10-5-4-6-11-15-19-23(26)20-16-12-8-7-9-13-17-21(2)24/h5-7,9-12,14-16,18-19,22-23,25-26H,3-4,8,13,17,20H2,1-2H3/b9-7-,10-5-,11-6-,16-12-,18-14+,19-15-.
What are the key properties of (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one?
(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one has a molecular weight of 358.52 g/mol, XLogP of 4.99, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one is sourced from PubChem (CID 87067085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).