chempirical

Ethyl cyclohexylideneacetate

C10H16O2CAS 1552-92-7168.24 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C10H16O2
Molar mass
168.24 g/mol
Exact mass
168.1150 Da
logP
2.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1552-92-7
SMILES
CCOC(=O)C=C1CCCCC1
InChIKey
MCWDXHYYYNGYGK-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3

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Names and synonyms

15 names · show all
  • Ethyl 2-cyclohexylideneacetate
  • Acetic acid, 2-cyclohexylidene-, ethyl ester
  • Ethyl 2-cyclohexylidenacetate
  • Cyclohexylideneacetic acid ethyl ester
  • Acetic acid, cyclohexylidene-, ethyl ester
  • 2-Cyclohexylidene-acetic Acid Ethyl Ester
  • Ethoxycarbonylmethylenecyclohexane
  • .DELTA.1,.alpha.-Cyclohexaneacetic acid, ethyl ester
  • Cyclohexylideneacetic acid ethyl
  • 2-Cyclohexylideneacetic acid ethyl ester
  • .DELTA.1, ethyl ester
  • Ethyl 1-cyclohexene-1-acetate
  • Cyclohexylidenessigsaureathylester
  • Delta1,alpha-Cyclohexaneacetic Acid Ethyl Ester
  • Delta1,alpha-Cyclohexaneacetic acid, ethyl ester

Work with Ethyl cyclohexylideneacetate

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 3,3-diethoxy-2-propenoate32002-24-759 % similar Ethyl 3,3-dimethylacrylate638-10-857 % similar Diethyl maleate141-05-954 % similar Diethyl fumarate623-91-654 % similar Ethyl β-aminocrotonate7318-00-552 % similar Diethyl sebacate110-40-750 % similar Diethyl pimelate2050-20-650 % similar Diethyl suberate2050-23-950 % similar

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

Same formula

Cyclohexyl methacrylate101-43-9 Ethyl 2-octynoate10519-20-7 Methyl 2-nonynoate111-80-8 1-Methylcyclopentyl methacrylate178889-45-7 (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-6 Geranic acid459-80-3 4-Methoxy-α,α-dimethyl-1,4-cyclohexadiene-1-methanol61597-37-3 Butyl (2E,4E)-2,4-hexadienoate7367-78-4

Elsewhere

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