8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid

C24H42O2 — CID 76806274

IUPAC8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
SMILESCCCCCC(C)=C(C)C(C)=C(C)C(C)=C(C)CCCCCCC(=O)O
InChIInChI=1S/C24H42O2/c1-8-9-12-15-18(2)20(4)22(6)23(7)21(5)19(3)16-13-10-11-14-17-24(25)26/h8-17H2,1-7H3,(H,25,26)
InChIKeyGEZVYUPGNCAYDO-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.00
Rot. Bonds13

About 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid

8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid (PubChem CID 76806274) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid.

Molecular Properties

Compound Name8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
PubChem CID76806274
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
SMILESCCCCCC(C)=C(C)C(C)=C(C)C(C)=C(C)CCCCCCC(=O)O
InChIInChI=1S/C24H42O2/c1-8-9-12-15-18(2)20(4)22(6)23(7)21(5)19(3)16-13-10-11-14-17-24(25)26/h8-17H2,1-7H3,(H,25,26)
InChIKeyGEZVYUPGNCAYDO-UHFFFAOYSA-N
XLogP8.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic 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

9,10,11,12-tetramethyloctadeca-9,11-dienoic acid
CID 76806265
(Z)-2,3-dimethyltetradec-2-enoic acid
CID 87282593
2,3-dimethyldec-2-enoic acid
CID 79729162
hexadecanoic acid;propan-2-one
CID 87722461
acetic acid;decanoic acid
CID 159015360
decanoic acid;propan-2-one
CID 158596023
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468

Frequently Asked Questions

What is the IUPAC name of 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid?
The IUPAC name of 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid (CID 76806274) is 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid.
What is the SMILES notation for 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid?
The canonical SMILES for 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid is CCCCCC(C)=C(C)C(C)=C(C)C(C)=C(C)CCCCCCC(=O)O.
What is the InChIKey of 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid?
The InChIKey is GEZVYUPGNCAYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-8-9-12-15-18(2)20(4)22(6)23(7)21(5)19(3)16-13-10-11-14-17-24(25)26/h8-17H2,1-7H3,(H,25,26).
What are the key properties of 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid?
8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid has a molecular weight of 362.60 g/mol, XLogP of 8.00, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid is sourced from PubChem (CID 76806274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).