chempirical

Methyl 4-cyclohexenecarboxylate

C8H12O2CAS 6493-77-2140.18 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Density
1.013 g/mL (at 20 °C)
Boiling point
70 °C (at 13 Torr)
logP
1.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
6493-77-2
SMILES
COC(=O)C1CC=CCC1
InChIKey
IPUNVLFESXFVFH-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

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

Names and synonyms

8 names
  • 3-Cyclohexene-1-carboxylic acid, methyl ester
  • Methyl 3-cyclohexene-1-carboxylate
  • 1-Carbomethoxy-3-cyclohexene
  • Methyl 3-cyclohexenecarboxylate
  • Methyl 1,2,3,6-tetrahydrobenzoate
  • 4-(Methoxycarbonyl)cyclohexene
  • 1-(Methoxycarbonyl)cyclohex-3-ene
  • NSC 93912

Work with Methyl 4-cyclohexenecarboxylate

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

3-Cyclohexenylmethyl 3-cyclohexenecarboxylate2611-00-957 % similar Methyl cyclopropanecarboxylate2868-37-357 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-257 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-057 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-153 % similar Methyl cyclohexanecarboxylate4630-82-452 % similar Methyl tetrahydropyran-4-carboxylate110238-91-050 % similar Methyl isonipecotate hydrochloride7462-86-449 % similar

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

Same formula

Vinylcyclohexene dioxide106-87-6 Dimedone126-81-8 1-Cyclohexenyl acetate1424-22-2 2,4-Hexadienyl acetate1516-17-2 1-Cyclohexene-1-acetic acid18294-87-6 Methyl 1-cyclohexene-1-carboxylate18448-47-0 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1

Elsewhere

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