chempirical

Methyl 3-methyl-2-butenoate

C6H10O2CAS 924-50-5114.14 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
0.9094 g/mL (at 20 °C)
Melting point
114 °C
Boiling point
136.5 °C
logP
1.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
924-50-5
SMILES
COC(=O)C=C(C)C
InChIKey
FZIBCCGGICGWBP-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Butenoic acid, 3-methyl-, methyl ester
  • Crotonic acid, 3-methyl-, methyl ester
  • Senecioic acid, methyl ester
  • Methyl 3-methylcrotonate
  • Methyl 3,3-dimethylacrylate
  • Methyl 3,3-dimethacrylate
  • Methyl senecioate
  • Methyl β-methylcrotonate
  • 3-Methylcrotonic acid methyl ester
  • Methyl dimethylacrylate
  • Methyl β,β-dimethylacrylate
  • 3-Methyl-2-butenoic acid methyl ester

Work with Methyl 3-methyl-2-butenoate

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

Methyl 3-amino-2-butenoate14205-39-158 % similar Dimethyl maleate624-48-655 % similar Dimethyl fumarate624-49-755 % similar Ethyl 3,3-dimethylacrylate638-10-852 % similar Methyl 3-[(trimethylsilyl)oxy]-2-butenoate62269-44-750 % similar Methyl glyoxylate922-68-950 % similar Methyl 4-chloro-3-methoxycrotonate85153-60-248 % similar Methyl E-crotonate623-43-848 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 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

Elsewhere

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