Dimethyl 1-(2-chloroethyl)cyclopentane-1,3-dicarboxylate

HCID 13633973

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Basic information

CAS: 106004-07-3
Standard SMILES: COC(=O)C1CCC(CCCl)(C(=O)OC)C1
InChIKey: MIKSGFOKMNFLCD-UHFFFAOYSA-N
Molecular formula: C11H17ClO4
Average molar mass: 248.7 g/mol
Monoisotopic mass: 248.0815367

Names & identifiers

Preferred name: Dimethyl 1-(2-chloroethyl)cyclopentane-1,3-dicarboxylate
IUPAC: dimethyl 1-(2-chloroethyl)cyclopentane-1,3-dicarboxylate

Names & synonyms

106004-07-3Dimethyl 1-(2-chloroethyl)cyclopentane-1,3-dicarboxylateDTXSID8011572181,3-Cyclopentanedicarboxylic acid, 1-(2-chloroethyl)-, dimethyl ester

Database identifiers

CAS: 106004-07-3
PubChem CID: 13633973
DTXSID: DTXSID801157218

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 279

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