2-Ethylhexyl trans-4-methoxycinnamate

C₁₈H₂₆O₃CAS 83834-59-7290.40 g/mol

Open in Covalent MOL file

Alkene Ester Ether

Properties

Molecular formula: C₁₈H₂₆O₃
Molar mass: 290.40 g/mol
Exact mass: 290.1882 Da
logP: 4.47Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 9
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

83834-59-7

SMILES

CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1

InChIKey

YBGZDTIWKVFICR-JLHYYAGUNA-N

InChI

InChI=1/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+

Weigh it out

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

Names and synonyms

2 names

2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester, (2E)-
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester, (E)-

Work with 2-Ethylhexyl trans-4-methoxycinnamate

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

2-Ethylhexyl fumarate141-02-662 % similar Bis(2-ethylhexyl) maleate142-16-562 % similar Ethyl (E)-4-methoxycinnamate24393-56-460 % similar Amiloxate71617-10-258 % similar 2-Ethylhexyl maleate7423-42-954 % similar Methyl 4-methoxycinnamate832-01-952 % similar 2-Ethylhexyl acrylate103-11-752 % similar Bis(2-ethylhexyl) terephthalate6422-86-249 % similar

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

Same formula

Estradiol hemihydrate35380-71-3 Octyl methoxycinnamate5466-77-3

Elsewhere

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