chempirical

Vinyl 2-ethylhexanoate

C10H18O2CAS 94-04-2170.25 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Boiling point
65 °C (at 15 Torr)
logP
2.89Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
94-04-2
SMILES
C=COC(=O)C(CC)CCCC
InChIKey
IGBZOHMCHDADGY-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Hexanoic acid, 2-ethyl-, ethenyl ester
  • Hexanoic acid, 2-ethyl-, vinyl ester
  • 2-Ethylhexanoic acid, vinyl ester
  • Vinyl 2-ethylhexoate
  • Vynate 2EH
  • NSC 5312
  • VeoVa EH

Work with Vinyl 2-ethylhexanoate

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

1,1′-[1,4-Cyclohexanediylbis(methylene)] bis(2-ethylhexanoate)53148-32-658 % similar Eastman teg-eh94-28-056 % similar tert-Butyl peroxy-2-ethylhexanoate3006-82-455 % similar 2-Ethylhexanoic acid149-57-547 % similar 2-Ethylhexanoyl chloride760-67-847 % similar 2-Ethylhexyl vinyl ether103-44-646 % similar Vinyl hexanoate3050-69-946 % similar Vinyl stearate111-63-745 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8

Elsewhere

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