2,2-Dimethyl-4-pentenoic acid

C₇H₁₂O₂CAS 16386-93-9128.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Boiling point: 103–105 °C (at 10 Torr)
logP: 1.67Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

16386-93-9

SMILES

C=CCC(C)(C)C(=O)O

InChIKey

BGUAPYRHJPWVEM-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-4-5-7(2,3)6(8)9/h4H,1,5H2,2-3H3,(H,8,9)

Weigh it out

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

Names and synonyms

2 names

4-Pentenoic acid, 2,2-dimethyl-
2,2-Dimethylpent-4-enoic acid

Work with 2,2-Dimethyl-4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2R)-2-Amino-2-methyl-4-pentenoic acid96886-56-559 % similar Hydroxypivalic acid4835-90-952 % similar 2,2-Dimethylbutanoic acid595-37-952 % similar 3-Chloro-2,2-dimethylpropanoic acid13511-38-150 % similar 2,2-Dimethylpentanoic acid1185-39-348 % similar 2,2-Dimethylsuccinic acid597-43-348 % similar 2,2-Dimethylglutaric acid681-57-245 % similar 2,2-Dimethylbut-3-enoic acid10276-09-245 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook