2,2-Dimethylbut-3-enoic acid

C₆H₁₀O₂CAS 10276-09-2114.14 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
logP: 1.28Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

10276-09-2

SMILES

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

InChIKey

SCFWAOWWAANBPY-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names

2,2-Dimethyl-3-butenoic acid

Work with 2,2-Dimethylbut-3-enoic 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

2,2-Dimethyl-4-pentenoic acid16386-93-945 % similar Dimethylmalonic acid595-46-044 % similar Pivalic acid75-98-944 % similar (2R)-2-Amino-2-methyl-4-pentenoic acid96886-56-541 % similar 2-Hydroxyisobutyric acid594-61-641 % similar Bromoisobutyric acid2052-01-939 % similar 2,2-Difluoropropanoic acid373-96-639 % similar 2-Aminoisobutyric acid62-57-739 % similar

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

Same formula

4-Methyl-2-pentenoic acid10321-71-8 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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