Dimethyl 1,1-cyclopropanedicarboxylate

C7H10O4CAS 6914-71-2158.15 g/mol

Open in Covalent MOL file
OOOO
Ester

Properties

Molecular formula
C7H10O4
Molar mass
158.15 g/mol
Exact mass
158.0579 Da
Boiling point
98 °C (at 22 Torr)
logP
0.11Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Harmonised EU classification (CLP Annex VI, index 607-391-00-2), via PubChem.

Precautionary statements

P273, P501

Identifiers

CAS number
6914-71-2
SMILES
COC(=O)C1(C(=O)OC)CC1
InChIKey
PWLLZZMFFZUSOG-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1,1-Cyclopropanedicarboxylic acid, 1,1-dimethyl ester
  • 1,1-Cyclopropanedicarboxylic acid, dimethyl ester
  • 1,1-Dimethyl cyclopropane-1,1-dicarboxylate

Work with Dimethyl 1,1-cyclopropanedicarboxylate

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

1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-668 % similar Dimethyl diethylmalonate27132-23-665 % similar Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-764 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-358 % similar Methyl 1-bromocyclopropanecarboxylate96999-01-856 % similar Methyl pivalate598-98-152 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-052 % similar 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione5617-70-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-1,2-Cyclopentanedicarboxylic acid1461-97-8 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-0 1,3-Cyclopentanedicarboxylic acid4056-78-4 Methyl 2-acetyl-3-oxobutanoate4619-66-3 Succinylacetone51568-18-4 Ethyl 2,4-dioxovalerate615-79-2 Dimethyl itaconate617-52-7 Allylidene diacetate869-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook