Basic information
- CAS
135910-94-0- Standard SMILES
C/C=C/C(=O)[C@H](C)CC- InChIKey
ARJWAURHQDJJAC-PTYLAXBQSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 5-Methyl-2-hepten-4-one, (R)-
- IUPAC
- (E,5R)-5-methylhept-2-en-4-one
Names & synonyms
(R)-FilbertoneFilbertone-,(R)-5-Methyl-2-hepten-4-one, (R)-F91628PI7J5-Methyl-2-hepten-4-one, (-)-(R)-5-Methyl-(2E)-hepten-4-oneUNII-F91628PI7J5-Methyl-2-hepten-4-one, (R-2E)-2-Hepten-4-one, 5-methyl-, (2E,5R)-2-Hepten-4-one, 5-methyl-, (R-(E))-135910-94-0RefChem:198950
Show more names
SCHEMBL5918859(R)-5-methyl-2-hepten-4-oneQ27277825
Database identifiers
- CAS
135910-94-0- PubChem CID
- 643135
- UNII
- F91628PI7J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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