(2E,4E,6Z)-Methyl deca-2,4,6-trienoate

C₁₁H₁₆O₂CAS 51544-64-0180.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆O₂
Molar mass: 180.25 g/mol
Exact mass: 180.1150 Da
logP: 2.63Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5
Double bonds: Z, E, EE/Z, in SMILES order

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

51544-64-0

SMILES

CCC/C=C\C=C\C=C\C(=O)OC

InChIKey

DLNQRJFVXCCDKL-WJTNUVGISA-N

InChI

InChI=1S/C11H16O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-10H,3-4H2,1-2H3/b6-5-,8-7+,10-9+

Weigh it out

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

Work with (2E,4E,6Z)-Methyl deca-2,4,6-trienoate

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

Methyl 2-hexenoate2396-77-273 % similar Methyl (E)-2-octenoate7367-81-957 % similar Methyl 2-nonenoate111-79-556 % similar Methyl 2,4-hexadienoate1515-80-653 % similar Ethyl decadienoate3025-30-751 % similar Dimethyl maleate624-48-648 % similar Dimethyl fumarate624-49-748 % similar Ethyl trans-2-hexenoate27829-72-747 % similar

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

Same formula

Butylated hydroxyanisole121-00-6 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone15356-74-8 Dihydroactinidiolide17092-92-1 Butylated hydroxyanisole25013-16-5 Olivetol500-66-3 4-Methoxybenzenebutanol52244-70-9 4-Butoxybenzenemethanol6214-45-5 (Diethoxymethyl)benzene774-48-1

Elsewhere

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