5-ethoxydihydro-2(3H)-furanone
Basic information
- CAS
932-85-4- Standard SMILES
CCOC1CCC(=O)O1- InChIKey
RGFKJRWDZOGFEG-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Overview
5-ethoxydihydro-2(3H)-furanone is a butan-4-olide that is gamma-butyrolactone substituted by an ethoxy group at position 5. It has a role as a metabolite. It is functionally related to a gamma-butyrolactone.
Names & identifiers
- Preferred name
- 5-ethoxydihydro-2(3H)-furanone
- IUPAC
- 5-ethoxyoxolan-2-one
- English name
- 5-Ethoxy-4,5-dihydro-2(3H)-furanone
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
5-ethoxyoxolan-2-one5-Ethoxydihydro-2(3H)-furanoneCHEBI:87307RefChem:1072848932-85-42(3H)-Furanone, 5-ethoxydihydro-5-Ethoxy-4,5-dihydro-2(3H)furanone5-Ethoxydihydrofuran-2(3H)-oneNSC6110964-Ethoxy-g-butyrolactone.gamma.-EthoxybutyrolactoneSCHEMBL2317576
Show more names
5-Ethoxy-4,5-dihydro-2(3H)-furanone
SCHEMBL58314634-Ethoxy-.gamma.-butyrolactoneDTXSID40326716laquo gammaRaquo -ethoxybutyrolactoneNSC-6110964-Ethoxy-laquo gammaRaquo -butyrolactone4-Ethoxy-4-hydroxybutyric acid g-lactoneQ27159514
Database identifiers
- CAS
932-85-4- PubChem CID
- 356063
- DTXSID
DTXSID40326716- ChEBI
CHEBI:87307- Nikkaji
- J109.078J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 95.75 · 95.75-96.75 °C(Press: 14 Torr)
- Density
- 1.096 g/cm3 · 1.096 g/cm3
- LogP
- -0.457 · -0.457 (est)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 5-ethoxydihydro-2(3H)-furanone is a butan-4-olide that is gamma-butyrolactone substituted by an ethoxy group at position 5. It has a role as a metabolite. It is functionally related to a gamma-butyrolactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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