Hepta-3,5-dien-2-one
Basic information
- CAS
3916-64-1- Standard SMILES
CC=CC=CC(C)=O- InChIKey
SWGLACWOVFCDQS-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- Hepta-3,5-dien-2-one
- IUPAC
- hepta-3,5-dien-2-one
Names & synonyms
Hepta-3,5-dien-2-oneheptadienone5-Acetyl-2,4-pentadieneSCHEMBL3132514DTXSID801032050H0022
Database identifiers
- CAS
3916-64-1- PubChem CID
- 19803
- DTXSID
DTXSID801032050
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…