Cyclobutanecarboxylic acid methyl ester

C₆H₁₀O₂CAS 765-85-5114.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
logP: 0.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

765-85-5

SMILES

COC(=O)C1CCC1

InChIKey

CBTGNLZUIZHUHY-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3

Weigh it out

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Names and synonyms

1 names

Methyl cyclobutanecarboxylate

Work with Cyclobutanecarboxylic acid methyl ester

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 cyclopentanecarboxylate4630-80-290 % similar Methyl cyclohexanecarboxylate4630-82-486 % similar Methyl cyclopropanecarboxylate2868-37-381 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-281 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-081 % similar Methyl tetrahydropyran-4-carboxylate110238-91-068 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-167 % similar Methyl isonipecotate2971-79-165 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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