chempirical

1,3-Dimethyl 1,3-cyclopentanedicarboxylate

C9H14O4CAS 2435-36-1186.21 g/mol

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Ester

Properties

Molecular formula
C9H14O4
Molar mass
186.21 g/mol
Exact mass
186.0892 Da
logP
0.75Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
2435-36-1
SMILES
COC(=O)C1CCC(C(=O)OC)C1
InChIKey
SQFQEQDRLAZVJQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O4/c1-12-8(10)6-3-4-7(5-6)9(11)13-2/h6-7H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Cyclopentanedicarboxylic acid, 1,3-dimethyl ester
  • 1,3-Cyclopentanedicarboxylic acid, dimethyl ester
  • 1,3-Bis(methoxycarbonyl)cyclopentane
  • Dimethyl cyclopentane-1,3-dicarboxylate
  • Dimethyl cyclopentan-1,3-dicarboxylate

Work with 1,3-Dimethyl 1,3-cyclopentanedicarboxylate

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 cyclopropanecarboxylate2868-37-381 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-281 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-081 % similar 3,4-Epoxycyclohexanecarboxylate methyl ester41088-52-270 % similar Methyl cyclohexanecarboxylate4630-82-464 % similar Methyl 4-hydroxycyclohexanecarboxylate17449-76-263 % similar Methyl tetrahydropyran-4-carboxylate110238-91-062 % similar Methyl 3-hydroxycyclobutanecarboxylate4934-99-059 % similar

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

Same formula

1,3-Diethyl 2-ethylidenepropanedioate1462-12-0 trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-0 Diethyl 1,1-cyclopropanedicarboxylate1559-02-0 1,1-Cyclopentanediacetic acid16713-66-9 Ethyl 2-(ethoxymethylene)acetoacetate3788-94-1

Elsewhere

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