Basic information
- CAS
68419-46-5- Standard SMILES
CC(C)C=CC(=O)CC(C)C- InChIKey
CZOUKEVZSCNCAE-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- Chamomile octenone
- IUPAC
- 2,7-dimethyloct-5-en-4-one
Names & synonyms
chamomile octenoneSCHEMBL3419638NS00012321
Database identifiers
- CAS
68419-46-5- PubChem CID
- 97706
- DTXSID
DTXSID6071530
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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