Basic information
- CAS
106609-86-3- Standard SMILES
CCN(CC)CC1(C)OC(=O)C(Cl)=C1C- InChIKey
RELJWJWNUCDUPW-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO2
- Average molar mass
- 231.72 g/mol
- Monoisotopic mass
- 231.1026065
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 3-chloro-5-((diethylamino)methyl)-4,5-dimethyl-
- IUPAC
- 3-chloro-5-(diethylaminomethyl)-4,5-dimethylfuran-2-one
Names & synonyms
BRN 5742747106609-86-33-Chloro-5-((diethylamino)methyl)-4,5-dimethyl-2(5H)-furanone2-Chloro-3,4-dimethyl-4-diethylaminomethyl-2-butenolide-42(5H)-FURANONE, 3-CHLORO-5-((DIETHYLAMINO)METHYL)-4,5-DIMETHYL-RefChem:241766DTXSID209100563-chloro-5-[(diethylamino)methyl]-4,5-dimethylfuran-2(5h)-one
Database identifiers
- CAS
106609-86-3- PubChem CID
- 60155
- DTXSID
DTXSID20910056
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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