Ethyl 1-methylcyclopropanecarboxylate
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 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
71441-76-4SMILES
CCOC(=O)C1(C)CC1InChIKey
IZPYNZLFBUQGCZ-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3Weigh 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 cyclopropane-1,1-dicarboxylate1559-02-062 % similar
Ethyl pivalate3938-95-262 % similar
Ethyl N-boc-4-methylpiperidine-4-carboxylate189442-87-358 % similar
Diethyl 1,1-cyclobutanedicarboxylate3779-29-157 % similar
Methyl 1-methylcyclopropane-1-carboxylate6206-25-356 % similar
1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-955 % similar
2,2-Difluoropropionic acid ethyl ester28781-85-355 % similar
1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.