chempirical

Isobutyl acrylate

C7H12O2CAS 106-63-8128.17 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Density
0.8498 g/mL (at 22 °C)
Melting point
−61 °C
Boiling point
132 °C
logP
1.37Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
106-63-8
SMILES
C=CC(=O)OCC(C)C
InChIKey
CFVWNXQPGQOHRJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3

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

Names and synonyms

7 names
  • 2-Propenoic acid, 2-methylpropyl ester
  • Acrylic acid, isobutyl ester
  • Isobutyl 2-propenoate
  • NSC 20949
  • Light acrylate AIB
  • IBA
  • 2-Methylpropyl prop-2-enoate

Work with Isobutyl acrylate

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

2-Hydroxypropyl acrylate999-61-165 % similar 2-Ethylbutyl acrylate3953-10-461 % similar Glycidyl acrylate106-90-160 % similar Isobutyl crotonate589-66-260 % similar Polyethylene glycol diacrylate26570-48-956 % similar Ethyl acrylate140-88-555 % similar Acrylic acid-2-hydroxypropyl acrylate copolymer55719-33-054 % similar 2,3-Dibromopropyl acrylate19660-16-353 % 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 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-5

Elsewhere

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