4-(Methoxymethoxy)-3,5-dimethylthiophen-2(5H)-one
Basic information
- CAS
873801-68-4- Standard SMILES
COCOC1=C(C)C(=O)SC1C- InChIKey
ZBEVZNZFUHUVMP-UHFFFAOYSA-N- Molecular formula
- C8H12O3S
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.05071541
Names & identifiers
- Preferred name
- 4-(Methoxymethoxy)-3,5-dimethylthiophen-2(5H)-one
- IUPAC
- 3-(methoxymethoxy)-2,4-dimethyl-2H-thiophen-5-one
Names & synonyms
873801-68-44-(Methoxymethoxy)-3,5-dimethylthiophen-2(5H)-oneDTXSID40469798
Database identifiers
- CAS
873801-68-4- PubChem CID
- 11636958
- DTXSID
DTXSID40469798- Nikkaji
- J2.308.873H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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