chempirical

Methyl 1-cyclohexene-1-carboxylate

C8H12O2CAS 18448-47-0140.18 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Boiling point
105 °C (at 40 Torr)
logP
1.66Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
18448-47-0
SMILES
COC(=O)C1=CCCCC1
InChIKey
KXPWRCPEMHIZGU-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Cyclohexene-1-carboxylic acid, methyl ester
  • 1-(Methoxycarbonyl)-1-cyclohexene
  • 1-(Carbomethoxy)cyclohexene
  • Methyl 1-cyclohexenecarboxylate

Work with Methyl 1-cyclohexene-1-carboxylate

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

Arecoline63-75-250 % similar 1-Cyclohexene-1-carboxylic acid636-82-847 % similar Arecoline hydrobromide300-08-346 % similar Dimethyl adipate627-93-045 % similar 2,5-Dihydro-3-thiophenecarboxylic acid methyl ester 1,1-dioxide67488-50-044 % similar Dimethyl sebacate106-79-643 % similar 1,12-Dimethyl dodecanedioate1731-79-943 % similar Dimethyl pimelate1732-08-743 % 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 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1 3-Ethoxy-2-cyclohexen-1-one5323-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook