8-methyldeca-2,4-dienoic acid

C11H18O2 — CID 154133307

IUPAC8-methyldeca-2,4-dienoic acid
SMILESCCC(C)CCC=CC=CC(=O)O
InChIInChI=1S/C11H18O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,12,13)
InChIKeyARNIESVKZFKNHY-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.01
Rot. Bonds6

About 8-methyldeca-2,4-dienoic acid

8-methyldeca-2,4-dienoic acid (PubChem CID 154133307) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-methyldeca-2,4-dienoic acid.

Molecular Properties

Compound Name8-methyldeca-2,4-dienoic acid
PubChem CID154133307
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-methyldeca-2,4-dienoic acid
SMILESCCC(C)CCC=CC=CC(=O)O
InChIInChI=1S/C11H18O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,12,13)
InChIKeyARNIESVKZFKNHY-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-methyldeca-2,4-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

Frequently Asked Questions

What is the IUPAC name of 8-methyldeca-2,4-dienoic acid?
The IUPAC name of 8-methyldeca-2,4-dienoic acid (CID 154133307) is 8-methyldeca-2,4-dienoic acid.
What is the SMILES notation for 8-methyldeca-2,4-dienoic acid?
The canonical SMILES for 8-methyldeca-2,4-dienoic acid is CCC(C)CCC=CC=CC(=O)O.
What is the InChIKey of 8-methyldeca-2,4-dienoic acid?
The InChIKey is ARNIESVKZFKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10(2)8-6-4-5-7-9-11(12)13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,12,13).
What are the key properties of 8-methyldeca-2,4-dienoic acid?
8-methyldeca-2,4-dienoic acid has a molecular weight of 182.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyldeca-2,4-dienoic acid is sourced from PubChem (CID 154133307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).