chempirical

Vinyl hexanoate

C8H14O2CAS 3050-69-9142.20 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.8995 g/mL (at 20 °C)
Boiling point
165–167 °C
logP
2.25Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
3050-69-9
SMILES
C=COC(=O)CCCCC
InChIKey
LZWYWAIOTBEZFN-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Hexanoic acid, ethenyl ester
  • Hexanoic acid, vinyl ester
  • Vinyl caproate
  • Vinyl hexoate
  • Caproic acid vinyl ester
  • Vinyl n-hexanoate
  • NSC 32629

Work with Vinyl hexanoate

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

Vinyl stearate111-63-796 % similar Vinyl decanoate4704-31-896 % similar Divinyl adipate4074-90-277 % similar Vinyl butyrate123-20-675 % similar Allyl hexanoate123-68-259 % similar Allyl heptanoate142-19-857 % similar Vinyl propionate105-38-457 % similar Dilauroyl peroxide105-74-857 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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