(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid

C23H34O3 — CID 156679510

IUPAC(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)CC(C)C(=O)O
InChIInChI=1S/C23H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21(2)23(25)26/h4-5,7-8,10-11,13-14,16-19,21-22,24H,3,6,9,12,15,20H2,1-2H3,(H,25,26)/b5-4-,8-7-,11-10-,14-13-,17-16-,19-18+
InChIKeyYMGRIUAPSJPLAK-MVWYYRFCSA-N
MW358.52 g/mol
LogP5.77
Rot. Bonds14

About (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid

(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid (PubChem CID 156679510) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid.

Molecular Properties

Compound Name(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid
PubChem CID156679510
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)CC(C)C(=O)O
InChIInChI=1S/C23H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21(2)23(25)26/h4-5,7-8,10-11,13-14,16-19,21-22,24H,3,6,9,12,15,20H2,1-2H3,(H,25,26)/b5-4-,8-7-,11-10-,14-13-,17-16-,19-18+
InChIKeyYMGRIUAPSJPLAK-MVWYYRFCSA-N
XLogP5.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid with MolForge

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Related Compounds

(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid
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(4R,17S)-4,17-dihydroxydocosa-5,7,10,13,15,19-hexaenoic acid
CID 91458160
(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
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
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,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
(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
heptadeca-9,11,14-trien-8-ol
CID 165117059

Frequently Asked Questions

What is the IUPAC name of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid?
The IUPAC name of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid (CID 156679510) is (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid.
What is the SMILES notation for (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid?
The canonical SMILES for (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(O)CC(C)C(=O)O.
What is the InChIKey of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid?
The InChIKey is YMGRIUAPSJPLAK-MVWYYRFCSA-N. The full InChI is InChI=1S/C23H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21(2)23(25)26/h4-5,7-8,10-11,13-14,16-19,21-22,24H,3,6,9,12,15,20H2,1-2H3,(H,25,26)/b5-4-,8-7-,11-10-,14-13-,17-16-,19-18+.
What are the key properties of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid?
(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid has a molecular weight of 358.52 g/mol, XLogP of 5.77, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid is sourced from PubChem (CID 156679510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).