Ethyl 1-methylcyclopropanecarboxylate

C₇H₁₂O₂CAS 71441-76-4128.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O₂
Molar mass: 128.17 g/mol
Exact mass: 128.0837 Da
Boiling point: 136–138 °C
logP: 1.35Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

71441-76-4

SMILES

CCOC(=O)C1(C)CC1

InChIKey

IZPYNZLFBUQGCZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Cyclopropanecarboxylic acid, 1-methyl-, ethyl ester
1-Methylcyclopropanecarboxylic acid ethyl ester

Work with Ethyl 1-methylcyclopropanecarboxylate

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

Diethyl 1,1-cyclopropanedicarboxylate1559-02-062 % similar Ethyl pivalate3938-95-262 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-955 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-355 % similar Ethyl 2-bromoisobutyrate600-00-055 % similar 1,3-Diethyl 2,2-dipropylpropanedioate6065-63-055 % similar Ethyl 2-hydroxyisobutyrate80-55-755 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-954 % 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

PubChem CAS Common Chemistry NIST WebBook