chempirical

Ethyl cyclopent-3-enecarboxylate

C8H12O2CAS 21622-01-5140.18 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
89–93 °C (at 40 Torr)
logP
1.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
21622-01-5
SMILES
CCOC(=O)C1CC=CC1
InChIKey
CTLAIKSGNQPPLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3

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Names and synonyms

2 names
  • 3-Cyclopentene-1-carboxylic acid, ethyl ester
  • Ethyl 3-cyclopentene-1-carboxylate

Work with Ethyl cyclopent-3-enecarboxylate

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 cyclopropanecarboxylate4606-07-965 % similar Ethyl cyclobutanecarboxylate14924-53-961 % similar Ethyl isonipecotate1126-09-660 % similar Ethyl cyclohexanecarboxylate3289-28-959 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-455 % similar Diethyl methylmalonate609-08-554 % similar Ethyl isobutyrate97-62-154 % 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 sorbate2396-84-1 3-Ethoxy-2-cyclohexen-1-one5323-87-5

Elsewhere

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