chempirical

Vinyl neodecanoate

C12H22O2CAS 51000-52-3198.31 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
logP
3.67Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51000-52-3
SMILES
CCCCCCC(C)(C)C(=O)OC=C
InChIKey
ZHXNRJQVYHYIMK-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h6H,2,5,7-10H2,1,3-4H3

Weigh it out

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

Names and synonyms

7 names
  • Neodecanoic acid, ethenyl ester
  • Neodecanoic acid, vinyl ester
  • Exxar neo 10
  • Versatic 10 Acid, ethenyl ester
  • VV 10
  • VeoVa 10
  • Vinyl versatate

Work with Vinyl neodecanoate

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

Bismuth neodecanoate34364-26-662 % similar Glycidyl neodecanoate26761-45-555 % similar Vinyl stearate111-63-751 % similar Vinyl laurate2146-71-651 % similar Vinyl decanoate4704-31-851 % similar 2,2-Dimethylnonanoic acid14250-75-049 % similar Vinyl hexanoate3050-69-949 % similar Vinyl pivalate3377-92-247 % 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'-Bi(cyclohexane))-2,2'-diol17385-36-3 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook