(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid

C13H20O2 — CID 143590196

IUPAC(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid
SMILESC=C/C(=C\C=C(/C)CC(=O)O)CC(C)C
InChIInChI=1S/C13H20O2/c1-5-12(8-10(2)3)7-6-11(4)9-13(14)15/h5-7,10H,1,8-9H2,2-4H3,(H,14,15)/b11-6+,12-7+
InChIKeyUOPGKCWKIKBBOZ-GNXRPPCSSA-N
MW208.30 g/mol
LogP3.57
Rot. Bonds6

About (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid

(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid (PubChem CID 143590196) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid.

Molecular Properties

Compound Name(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid
PubChem CID143590196
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid
SMILESC=C/C(=C\C=C(/C)CC(=O)O)CC(C)C
InChIInChI=1S/C13H20O2/c1-5-12(8-10(2)3)7-6-11(4)9-13(14)15/h5-7,10H,1,8-9H2,2-4H3,(H,14,15)/b11-6+,12-7+
InChIKeyUOPGKCWKIKBBOZ-GNXRPPCSSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-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 (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid?
The IUPAC name of (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid (CID 143590196) is (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid.
What is the SMILES notation for (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid?
The canonical SMILES for (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid is C=C/C(=C\C=C(/C)CC(=O)O)CC(C)C.
What is the InChIKey of (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid?
The InChIKey is UOPGKCWKIKBBOZ-GNXRPPCSSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-12(8-10(2)3)7-6-11(4)9-13(14)15/h5-7,10H,1,8-9H2,2-4H3,(H,14,15)/b11-6+,12-7+.
What are the key properties of (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid?
(3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid has a molecular weight of 208.30 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-ethenyl-3,8-dimethylnona-3,5-dienoic acid is sourced from PubChem (CID 143590196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).