Ethyl trans-2-decenoate

C₁₂H₂₂O₂CAS 7367-88-6198.31 g/mol

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Properties

Molecular formula: C₁₂H₂₂O₂
Molar mass: 198.31 g/mol
Exact mass: 198.1620 Da
Boiling point: 87–88.5 °C (at 2 Torr)
logP: 3.47Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

7367-88-6

SMILES

CCCCCCC/C=C/C(=O)OCC

InChIKey

GNJARWZWODMTDR-ZHACJKMWSA-N

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+

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Names and synonyms

3 names

2-Decenoic acid, ethyl ester, (2E)-
2-Decenoic acid, ethyl ester, (E)-
Ethyl 2-(E)-decenoate

Work with Ethyl trans-2-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 (E)-2-octenoate7367-82-097 % similar Ethyl trans-2-hexenoate27829-72-774 % similar Methyl 2-nonenoate111-79-568 % similar Methyl (E)-2-octenoate7367-81-965 % similar Ethyl oleate111-62-661 % similar Ethyl (E)-4-decenoate76649-16-658 % similar Diethyl maleate141-05-957 % similar Diethyl fumarate623-91-657 % 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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