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

C24H36O3 — CID 156679850

IUPAC(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-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)C(=O)O
InChIInChI=1S/C24H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)21-24(2,3)23(26)27/h5-6,8-9,11-12,14-15,17-20,22,25H,4,7,10,13,16,21H2,1-3H3,(H,26,27)/b6-5-,9-8-,12-11-,15-14-,18-17-,20-19+
InChIKeyNHVHYAUJGUGOOP-RZAFJODCSA-N
MW372.55 g/mol
LogP6.16
Rot. Bonds14

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

(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid (PubChem CID 156679850) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid.

Molecular Properties

Compound Name(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid
PubChem CID156679850
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-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)C(=O)O
InChIInChI=1S/C24H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)21-24(2,3)23(26)27/h5-6,8-9,11-12,14-15,17-20,22,25H,4,7,10,13,16,21H2,1-3H3,(H,26,27)/b6-5-,9-8-,12-11-,15-14-,18-17-,20-19+
InChIKeyNHVHYAUJGUGOOP-RZAFJODCSA-N
XLogP6.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.16
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'}

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Related Compounds

(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2-methyldocosa-5,7,10,13,16,19-hexaenoic acid
CID 156679510
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(4R,17S)-4,17-dihydroxydocosa-5,7,10,13,15,19-hexaenoic acid
CID 91458160
(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
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid
CID 156679770
(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-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid?
The IUPAC name of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid (CID 156679850) is (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid.
What is the SMILES notation for (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid?
The canonical SMILES for (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-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)C(=O)O.
What is the InChIKey of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid?
The InChIKey is NHVHYAUJGUGOOP-RZAFJODCSA-N. The full InChI is InChI=1S/C24H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)21-24(2,3)23(26)27/h5-6,8-9,11-12,14-15,17-20,22,25H,4,7,10,13,16,21H2,1-3H3,(H,26,27)/b6-5-,9-8-,12-11-,15-14-,18-17-,20-19+.
What are the key properties of (5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid?
(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid has a molecular weight of 372.55 g/mol, XLogP of 6.16, 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-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenoic acid is sourced from PubChem (CID 156679850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).