5,5-Diethyldihydrofuran-2(3h)-one

HCID 252561

Notes Reactions

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Basic information

CAS: 1608-93-1
Standard SMILES: CCC1(CC)CCC(=O)O1
InChIKey: CSMPDOHTCWJGFE-UHFFFAOYSA-N
Molecular formula: C8H14O2
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.09937969

Names & identifiers

Preferred name: 5,5-Diethyldihydrofuran-2(3h)-one
IUPAC: 5,5-diethyloxolan-2-one

Names & synonyms

1608-93-15,5-diethyldihydrofuran-2(3h)-oneDTXSID20291271RefChem:298310DTXCID302424165,5-diethyloxolan-2-oneNSC746292(3H)-Furanone,5,5-diethyldihydro-SCHEMBL1687492CSMPDOHTCWJGFE-UHFFFAOYSA-N5,5-diethyldihydro-2(3H)-furanoneNSC-74629

Show more names

AKOS015904898gamma,gamma-Diethyl-gamma-butyrolactoneDS-003323

Database identifiers

CAS: 1608-93-1
PubChem CID: 252561
DTXSID: DTXSID20291271
Nikkaji: J293.180J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Related reactions

3 records

New reaction record

HRID 595382As productuspto-grants-2016_01

HRID 595383As reactantuspto-grants-2016_01

HRID 666445As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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