chempirical

Ethyl (E)-2-octenoate

C10H18O2CAS 7367-82-0170.25 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
55 °C (at 0.03 Torr)
logP
2.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
7367-82-0
SMILES
CCCCC/C=C/C(=O)OCC
InChIKey
AISZSTYLOVXFII-CMDGGOBGSA-N
InChI
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+

Weigh it out

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

Names and synonyms

5 names
  • 2-Octenoic acid, ethyl ester, (2E)-
  • 2-Octenoic acid, ethyl ester, (E)-
  • Ethyl trans-2-octenoate
  • (2E)-2-Octenoic acid ethyl ester
  • Ethyl oct-(2E)-enoate

Work with Ethyl (E)-2-octenoate

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

Ethyl trans-2-decenoate7367-88-697 % similar Ethyl trans-2-hexenoate27829-72-777 % similar Methyl (E)-2-octenoate7367-81-967 % similar Ethyl (E)-4-decenoate76649-16-660 % similar Diethyl maleate141-05-959 % similar Diethyl fumarate623-91-659 % similar Ethyl oleate111-62-658 % similar Ethyl (E)-4-bromo-2-butenoate37746-78-456 % 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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