Basic information
- CAS
38453-96-2- Standard SMILES
CC(=O)c1cc(C(C)(C)C)oc1C- InChIKey
HQYZEAKBFIFBHT-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 1-(5-tert-Butyl-2-methylfuran-3-yl)ethan-1-one
- IUPAC
- 1-(5-tert-butyl-2-methylfuran-3-yl)ethanone
Names & synonyms
38453-96-2DTXSID006104211-(5-tert-Butyl-2-methylfuran-3-yl)ethan-1-oneRefChem:225840DTXCID505611761-(5-(tert-butyl)-2-methylfuran-3-yl)ethanoneSCHEMBL136923873-acetyl-2-methyl-5-t-butylfuran
Database identifiers
- CAS
38453-96-2- PubChem CID
- 21064411
- DTXSID
DTXSID00610421
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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