(4Z)-5,9-dimethyldeca-4,8-dienoic acid

C12H20O2 — CID 87315304

IUPAC(4Z)-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C\CCC(=O)O
InChIInChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)/b11-8-
InChIKeyHPOYZGTYWKRTPU-FLIBITNWSA-N
MW196.29 g/mol
LogP3.54
Rot. Bonds6

About (4Z)-5,9-dimethyldeca-4,8-dienoic acid

(4Z)-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 87315304) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4Z)-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4Z)-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID87315304
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4Z)-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C\CCC(=O)O
InChIInChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)/b11-8-
InChIKeyHPOYZGTYWKRTPU-FLIBITNWSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-5,9-dimethyldeca-4,8-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 (4Z)-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of (4Z)-5,9-dimethyldeca-4,8-dienoic acid (CID 87315304) is (4Z)-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for (4Z)-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for (4Z)-5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCC/C(C)=C\CCC(=O)O.
What is the InChIKey of (4Z)-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is HPOYZGTYWKRTPU-FLIBITNWSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3,(H,13,14)/b11-8-.
What are the key properties of (4Z)-5,9-dimethyldeca-4,8-dienoic acid?
(4Z)-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 87315304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).