chempirical

Vinyl decanoate

C12H22O2CAS 4704-31-8198.31 g/mol

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AlkeneEster

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Density
0.8681 g/mL (at 20 °C)
Boiling point
121 °C (at 15 Torr)
logP
3.81Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Identifiers

CAS number
4704-31-8
SMILES
C=COC(=O)CCCCCCCCC
InChIKey
CMDXMIHZUJPRHG-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3

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

Names and synonyms

5 names
  • Decanoic acid, ethenyl ester
  • Decanoic acid, vinyl ester
  • Vinyl caprate
  • Vinyl n-decanoate
  • NSC 32648

Work with Vinyl decanoate

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

Vinyl stearate111-63-7100 % similar Vinyl hexanoate3050-69-996 % similar Divinyl adipate4074-90-274 % similar Vinyl butyrate123-20-672 % similar Dilauroyl peroxide105-74-860 % similar Allyl heptanoate142-19-860 % similar Decanoic anhydride2082-76-060 % similar Palmitic anhydride623-65-460 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7

Elsewhere

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