chempirical

Ethyl (E)-4-decenoate

C12H22O2CAS 76649-16-6198.31 g/mol

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OO
AlkeneEster

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
logP
3.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
76649-16-6
SMILES
CCCCC/C=C/CCC(=O)OCC
InChIKey
AWNIQMQADACLCJ-CMDGGOBGSA-N
InChI
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+

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Names and synonyms

3 names
  • 4-Decenoic acid, ethyl ester, (4E)-
  • 4-Decenoic acid, ethyl ester, (E)-
  • Ethyl trans-4-decenoate

Work with Ethyl (E)-4-decenoate

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 oleate111-62-684 % similar Ethyl arachidonate1808-26-079 % similar Ethyl linoleate544-35-476 % similar Ethyl hexanoate123-66-070 % similar Ethyl heptanoate106-30-968 % similar Ethyl octanoate106-32-168 % similar Ethyl dodecanoate106-33-268 % similar Ethyl decanoate110-38-368 % 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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