chempirical

Methyl 3-methylenecyclobutanecarboxylate

C7H10O2CAS 15963-40-3126.16 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C7H10O2
Molar mass
126.16 g/mol
Exact mass
126.0681 Da
logP
1.13Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
15963-40-3
SMILES
COC(=O)C1CC(=C)C1
InChIKey
OSWTXCSCDKIANQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-5-3-6(4-5)7(8)9-2/h6H,1,3-4H2,2H3

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Names and synonyms

1 names
  • Cyclobutanecarboxylic acid, 3-methylene-, methyl ester (6ci,8ci,9ci)

Work with Methyl 3-methylenecyclobutanecarboxylate

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

Methyl cyclopropanecarboxylate2868-37-358 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-258 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-058 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-154 % similar Methyl cyclohexanecarboxylate4630-82-452 % similar Methyl 3-hydroxycyclobutanecarboxylate4934-99-048 % similar Methyl 4-oxocyclohexanecarboxylate6297-22-948 % similar 1,3-Dimethyl 2-ethylpropanedioate26717-67-948 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl-1,2-cyclopentanedione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 2-Acetylcyclopentanone1670-46-8 2-Propen-1-yl 2-butenoate20474-93-5

Elsewhere

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