Ethyl 1-hexyl-2-oxocyclopentane-1-carboxylate

HCID 69200764

Notes Reactions

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Basic information

CAS: 36370-13-5
Standard SMILES: CCCCCCC1(C(=O)OCC)CCCC1=O
InChIKey: YDHPMOJEWBRHJJ-UHFFFAOYSA-N
Molecular formula: C14H24O3
Average molar mass: 240.34 g/mol
Monoisotopic mass: 240.17254462

Names & identifiers

Preferred name: Ethyl 1-hexyl-2-oxocyclopentane-1-carboxylate
IUPAC: ethyl 1-hexyl-2-oxocyclopentane-1-carboxylate

Names & synonyms

36370-13-5ETHYL 1-HEXYL-2-OXOCYCLOPENTANE-1-CARBOXYLATESCHEMBL4812034DTXSID50739994YDHPMOJEWBRHJJ-UHFFFAOYSA-NDB-119078Ethyl 1-n-hexyl-2-oxocyclopentane carboxylate

Database identifiers

CAS: 36370-13-5
PubChem CID: 69200764
DTXSID: DTXSID50739994

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 273

Related reactions

2 records

New reaction record

HRID 132769As productuspto-grants-2008_06

HRID 1537872As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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