4-Methyl-2-pentenoic acid

C₆H₁₀O₂CAS 10321-71-8114.14 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
Density: 0.9589 g/mL (at 16 °C)
Melting point: 35 °C
Boiling point: 217 °C
logP: 1.28Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

10321-71-8

SMILES

CC(C)C=CC(=O)O

InChIKey

QAOXMQCWUWZZNC-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

2-Pentenoic acid, 4-methyl-
4,4-Dimethyl-2-butenoic acid
4-Methylpent-2-en-1-oic acid

Work with 4-Methyl-2-pentenoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Maleic acid110-16-752 % similar Fumaric acid110-17-852 % similar Poly(maleic acid)26099-09-252 % similar Crotonic acid107-93-750 % similar Crotonic acid3724-65-050 % similar 5-Methyl-3-hexen-2-one5166-53-050 % similar Cis,cis-muconic acid1119-72-848 % similar Muconic acid3588-17-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4 2-Methyl-tetrahydropyran-4-one1193-20-0

Elsewhere

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