Ethyl 3-(2,2-dichloro-3-oxocyclobutyl)propanoate

HCID 67775324

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)CCC1CC(=O)C1(Cl)Cl
InChIKey: BDXVDQGZGGFUSW-UHFFFAOYSA-N
Molecular formula: C9H12Cl2O3
Average molar mass: 239.09 g/mol

Names & identifiers

Preferred name: Ethyl 3-(2,2-dichloro-3-oxocyclobutyl)propanoate
IUPAC: ethyl 3-(2,2-dichloro-3-oxocyclobutyl)propanoate

Names & synonyms

SCHEMBL9106894BDXVDQGZGGFUSW-UHFFFAOYSA-Nethyl 3-(2,2-dichloro-3-oxocyclobutyl)propanoate

Database identifiers

PubChem CID: 67775324

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 250

Related reactions

6 records

New reaction record

HRID 511601 reaction equation

HRID 511601As productuspto-grants-2015_08

HRID 511602 reaction equation

HRID 511602As reactantuspto-grants-2015_08

HRID 664071 reaction equation

HRID 664071As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2040640 reaction equation

HRID 2040640As productuspto-grants-2013_11

HRID 2040641 reaction equation

HRID 2040641As reactantuspto-grants-2013_11

HRID 2158448 reaction equation

HRID 2158448As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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