chempirical

Methyl 2-hexenoate

C7H12O2CAS 2396-77-2128.17 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Melting point
32 °C
Boiling point
56–58 °C (at 13 Torr)
logP
1.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2396-77-2
SMILES
CCCC=CC(=O)OC
InChIKey
GFUGBRNILVVWIE-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Hexenoic acid, methyl ester
  • 3-Propylacrylic acid methyl ester
  • Methyl 3-propylacrylate

Work with Methyl 2-hexenoate

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

Methyl (E)-2-octenoate7367-81-976 % similar Methyl 2-nonenoate111-79-573 % similar Ethyl trans-2-hexenoate27829-72-763 % similar Methyl 4-bromo-2-butenoate1117-71-157 % similar Methyl (2E)-4-bromo-2-butenoate6000-00-657 % similar Dimethyl maleate624-48-656 % similar Dimethyl fumarate624-49-756 % similar 2-Hexenoic acid1191-04-453 % 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