2,3-dimethylpenta-3,4-dienoic acid

C7H10O2 — CID 55300475

IUPAC2,3-dimethylpenta-3,4-dienoic acid
SMILESC=C=C(C)C(C)C(=O)O
InChIInChI=1S/C7H10O2/c1-4-5(2)6(3)7(8)9/h6H,1H2,2-3H3,(H,8,9)
InChIKeyODFAQANCWRDVNQ-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.44
Rot. Bonds2

About 2,3-dimethylpenta-3,4-dienoic acid

2,3-dimethylpenta-3,4-dienoic acid (PubChem CID 55300475) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2,3-dimethylpenta-3,4-dienoic acid.

Molecular Properties

Compound Name2,3-dimethylpenta-3,4-dienoic acid
PubChem CID55300475
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2,3-dimethylpenta-3,4-dienoic acid
SMILESC=C=C(C)C(C)C(=O)O
InChIInChI=1S/C7H10O2/c1-4-5(2)6(3)7(8)9/h6H,1H2,2-3H3,(H,8,9)
InChIKeyODFAQANCWRDVNQ-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethylpenta-3,4-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

Related Compounds

3-Methyl-3-butenoic acid
CID 417575
2,2,3-trimethylbut-3-enoic Acid
CID 11094634
3-Isopropyl-3-butenoic acid
CID 443528
2-Ethylbut-3-enoic acid
CID 18793227
3-Methylpenta-3,4-dienoic acid
CID 13355312
2-Methylpenta-3,4-dienoic acid
CID 20228531
(3E)-2,3-dimethyl-3-pentenoic acid
CID 14452499
3-Methyl-2-(trifluoromethyl)penta-3,4-dienoic acid
CID 11446680
3-Butenoic acid, 2,3-dimethyl-
CID 11018832
2,3-Dimethylpent-3-enoic acid
CID 53865619
(R)-2-Ethylbut-3-enoic acid
CID 55298948
2-Ethyl-3-methylbut-3-enoic acid
CID 12861249

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpenta-3,4-dienoic acid?
The IUPAC name of 2,3-dimethylpenta-3,4-dienoic acid (CID 55300475) is 2,3-dimethylpenta-3,4-dienoic acid.
What is the SMILES notation for 2,3-dimethylpenta-3,4-dienoic acid?
The canonical SMILES for 2,3-dimethylpenta-3,4-dienoic acid is C=C=C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethylpenta-3,4-dienoic acid?
The InChIKey is ODFAQANCWRDVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5(2)6(3)7(8)9/h6H,1H2,2-3H3,(H,8,9).
What are the key properties of 2,3-dimethylpenta-3,4-dienoic acid?
2,3-dimethylpenta-3,4-dienoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpenta-3,4-dienoic acid is sourced from PubChem (CID 55300475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).