Basic information
- CAS
50598-34-0- Standard SMILES
CCC1(C)COC(=O)C1- InChIKey
CHDAMWZEYINXCG-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Overview
Beta-EMGBL is a gamma-lactone.
Names & identifiers
- Preferred name
- beta-Ethyl-beta-methyl-gamma-butyrolactone
- IUPAC
- 4-ethyl-4-methyloxolan-2-one
Names & synonyms
beta-Ethyl-beta-methyl-gamma-butyrolactoneRefChem:917070beta-EMGBL4-ethyl-4-methyloxolan-2-one50598-34-0BRN 0108838beta-Methyl-beta-aethyl-gamma-butyrolacton [German]Dihydro-4-ethyl-4-methyl-2(3H)-furanone2(3H)-FURANONE, DIHYDRO-4-ETHYL-4-METHYL-beta-Methyl-beta-aethyl-gamma-butyrolactonCHEMBL286453SCHEMBL6406766
Show more names
SCHEMBL7736395CHEBI:35067DTXSID90964829AKOS0159083444-ethyl-4-methyl-tetrahydrofuran-2-one4-ethyl-4-methyldihydro-2(3H)-furanoneQ27116397
Database identifiers
- CAS
50598-34-0- PubChem CID
- 39737
- DTXSID
DTXSID90964829- ChEMBL
CHEMBL286453- ChEBI
CHEBI:35067- Nikkaji
- J75.500A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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