2-Ethylhexyl trans-4-methoxycinnamate

C18H26O3CAS 83834-59-7290.40 g/mol

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OOO
AlkeneEsterEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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+

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Octyl methoxycinnamate5466-77-3Stereo not defined

Similar compounds

2-Ethylhexyl fumarate141-02-662 % similar Bis(2-ethylhexyl) maleate142-16-562 % similar Ethyl methoxycinnamate24393-56-460 % similar Amiloxate71617-10-258 % similar 2-Ethylhexyl maleate7423-42-954 % similar 4-Methoxycinnamate methyl ester832-01-952 % 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

Elsewhere

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