(3Z)-2,4-dimethylhexa-3,5-dienoic acid

C8H12O2 — CID 131488033

IUPAC(3Z)-2,4-dimethylhexa-3,5-dienoic acid
SMILESC=C/C(C)=C\C(C)C(=O)O
InChIInChI=1S/C8H12O2/c1-4-6(2)5-7(3)8(9)10/h4-5,7H,1H2,2-3H3,(H,9,10)/b6-5-
InChIKeyRYMCUBMXXNNAGC-WAYWQWQTSA-N
MW140.18 g/mol
LogP1.84
Rot. Bonds3

About (3Z)-2,4-dimethylhexa-3,5-dienoic acid

(3Z)-2,4-dimethylhexa-3,5-dienoic acid (PubChem CID 131488033) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3Z)-2,4-dimethylhexa-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z)-2,4-dimethylhexa-3,5-dienoic acid
PubChem CID131488033
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3Z)-2,4-dimethylhexa-3,5-dienoic acid
SMILESC=C/C(C)=C\C(C)C(=O)O
InChIInChI=1S/C8H12O2/c1-4-6(2)5-7(3)8(9)10/h4-5,7H,1H2,2-3H3,(H,9,10)/b6-5-
InChIKeyRYMCUBMXXNNAGC-WAYWQWQTSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-2,4-dimethylhexa-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

Related Compounds

2,4-dimethylpent-3-enoic acid;hydrochloride
CID 175476530
(3E)-2-methylhexa-3,5-dienoic acid
CID 22754992
(3E)-4-methylhexa-3,5-diene-2-sulfonic acid
CID 139630124
(3Z)-5-bromo-3-methylhexa-1,3-diene;ethene
CID 143243230
(E)-2,5-dimethylhex-3-enedioic acid
CID 22630170
(2Z,6E,7R,8Z)-5-amino-6-ethylidene-7,9-dimethyl-4-methylideneundeca-2,8,10-trienamide
CID 89144825
prop-2-enoic acid;2-sulfanylpropanoic acid
CID 162131656
(2E,5E,7R)-3,5,7-trimethylocta-2,5-dienedioic acid
CID 100641572
(3Z)-3,5,6-trimethylocta-1,3-diene
CID 165141677
tris(propan-2-ol);prop-2-enoic acid;titanium
CID 19993431
(Z)-2-methyl-4-(propylideneamino)pent-3-enoic acid
CID 118281600
Acrylic acid potassium salt
CID 87124626

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,4-dimethylhexa-3,5-dienoic acid?
The IUPAC name of (3Z)-2,4-dimethylhexa-3,5-dienoic acid (CID 131488033) is (3Z)-2,4-dimethylhexa-3,5-dienoic acid.
What is the SMILES notation for (3Z)-2,4-dimethylhexa-3,5-dienoic acid?
The canonical SMILES for (3Z)-2,4-dimethylhexa-3,5-dienoic acid is C=C/C(C)=C\C(C)C(=O)O.
What is the InChIKey of (3Z)-2,4-dimethylhexa-3,5-dienoic acid?
The InChIKey is RYMCUBMXXNNAGC-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-6(2)5-7(3)8(9)10/h4-5,7H,1H2,2-3H3,(H,9,10)/b6-5-.
What are the key properties of (3Z)-2,4-dimethylhexa-3,5-dienoic acid?
(3Z)-2,4-dimethylhexa-3,5-dienoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,4-dimethylhexa-3,5-dienoic acid is sourced from PubChem (CID 131488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).