(1e)-1-(Furan-2-yl)-4,4-dimethylpent-1-en-3-one
Basic information
- CAS
34204-47-2- Standard SMILES
CC(C)(C)C(=O)/C=C/c1ccco1- InChIKey
YPEFKYSIXHJJHH-VOTSOKGWSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- (1e)-1-(Furan-2-yl)-4,4-dimethylpent-1-en-3-one
- IUPAC
- (E)-1-(furan-2-yl)-4,4-dimethylpent-1-en-3-one
Names & synonyms
(1e)-1-(furan-2-yl)-4,4-dimethylpent-1-en-3-oneNSC6908634204-47-2SCHEMBL10653589YPEFKYSIXHJJHH-VOTSOKGWSA-NHMS1577A15NSC-69086STX105164AKOS0229538071-(2-Furyl)-4,4-dimethyl-1-penten-3-one(1E)-1-(2-Furyl)-4,4-dimethyl-1-penten-3-one #
Database identifiers
- CAS
34204-47-2- PubChem CID
- 778694
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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