(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid

C24H44O2 — CID 122446351

IUPAC(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCC(CCCCCC)C(=O)O
InChIInChI=1S/C24H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(24(25)26)21-19-8-6-4-2/h10-11,13-14,23H,3-9,12,15-22H2,1-2H3,(H,25,26)/b11-10-,14-13-
InChIKeyGAFWKAIFWHYIFL-XVTLYKPTSA-N
MW364.61 g/mol
LogP8.08
Rot. Bonds19

About (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid

(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid (PubChem CID 122446351) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid.

Molecular Properties

Compound Name(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
PubChem CID122446351
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCC(CCCCCC)C(=O)O
InChIInChI=1S/C24H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(24(25)26)21-19-8-6-4-2/h10-11,13-14,23H,3-9,12,15-22H2,1-2H3,(H,25,26)/b11-10-,14-13-
InChIKeyGAFWKAIFWHYIFL-XVTLYKPTSA-N
XLogP8.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9Z,12Z)-2-hexyloctadeca-9,12-dienoic 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

2-dodecyloctadeca-9,12,15-trienoic acid
CID 54256759
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
(9Z,12Z)-2-(hydroxymethyl)octadeca-9,12-dienoic acid
CID 139897007
19,21-di(heptadecyl)nonatriaconta-6,9,30,33-tetraen-20-one
CID 123225204
(Z)-2-(2-chloroethyl)docos-13-enoic acid
CID 175201489
2-dodec-6-enylbutanedioic acid
CID 174779156
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
2-propylheptadec-5-enoic acid
CID 91495561
2-propyloctadec-5-enoic acid
CID 141120150
16-methyl-2-octadecyldocos-13-enoic acid
CID 174214728

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid?
The IUPAC name of (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid (CID 122446351) is (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid.
What is the SMILES notation for (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid?
The canonical SMILES for (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid is CCCCC/C=C\C/C=C\CCCCCCC(CCCCCC)C(=O)O.
What is the InChIKey of (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid?
The InChIKey is GAFWKAIFWHYIFL-XVTLYKPTSA-N. The full InChI is InChI=1S/C24H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(24(25)26)21-19-8-6-4-2/h10-11,13-14,23H,3-9,12,15-22H2,1-2H3,(H,25,26)/b11-10-,14-13-.
What are the key properties of (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid?
(9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid has a molecular weight of 364.61 g/mol, XLogP of 8.08, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-2-hexyloctadeca-9,12-dienoic acid is sourced from PubChem (CID 122446351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).