chempirical

Ethyl cyclobutanecarboxylate

C7H12O2CAS 14924-53-9128.17 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Density
0.9549 g/mL (at 20 °C)
Boiling point
159 °C
logP
1.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
14924-53-9
SMILES
CCOC(=O)C1CCC1
InChIKey
SMVBADCAMQOTOV-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-2-9-7(8)6-4-3-5-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • Cyclobutanecarboxylic acid, ethyl ester
  • NSC 125691

Work with Ethyl cyclobutanecarboxylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl cyclohexanecarboxylate3289-28-988 % similar Ethyl cyclopropanecarboxylate4606-07-983 % similar Ethyl isonipecotate1126-09-668 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-468 % similar Ethyl 4,4-difluorocyclohexanecarboxylate178312-47-567 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-766 % similar trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-066 % similar (-)-Ethyl nipecotate25137-01-365 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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