Basic information
- CAS
4196-96-7- Standard SMILES
CC(C)CC(=O)C=Cc1ccco1- InChIKey
ARPBBWPSIYPLJI-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-(Furan-2-yl)-5-methylhex-1-en-3-one
- IUPAC
- 1-(furan-2-yl)-5-methylhex-1-en-3-one
Names & synonyms
1-(furan-2-yl)-5-methylhex-1-en-3-one4196-96-7DTXSID40294648RefChem:226684DTXCID502457871-(2-furanyl)-5-methyl-1-hexen-3-one
Database identifiers
- CAS
4196-96-7- PubChem CID
- 263185
- DTXSID
DTXSID40294648
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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