2-(2-Acetoxyethyl)-2-methoxycarbonylcyclopentanone

HCID 11622720

Notes Reactions

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Basic information

CAS: 54460-31-0
Standard SMILES: COC(=O)C1(CCOC(C)=O)CCCC1=O
InChIKey: NFBRFUYNZDQFNS-UHFFFAOYSA-N
Molecular formula: C11H16O5
Average molar mass: 228.24 g/mol
Monoisotopic mass: 228.09977361

Names & identifiers

Preferred name: 2-(2-Acetoxyethyl)-2-methoxycarbonylcyclopentanone
IUPAC: methyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate

Names & synonyms

2-(2-Acetoxyethyl)-2-methoxycarbonylcyclopentanone54460-31-0SCHEMBL4349604DTXSID70469600NFBRFUYNZDQFNS-UHFFFAOYSA-N(+/-)-1-(2-acetoxyethyl)-2-oxocyclopentanecarboxylic acid methyl esterMETHYL 1-[2-(ACETYLOXY)ETHYL]-2-OXOCYCLOPENTANE-1-CARBOXYLATE

Database identifiers

CAS: 54460-31-0
PubChem CID: 11622720
DTXSID: DTXSID70469600

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 309

Related reactions

1 records

New reaction record

HRID 2113245As reactantuspto-grants-2009_04

Compound notes

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