Basic information
- CAS
112804-71-4- Standard SMILES
CCCCCC=CC=C1C2C=CC1C(=O)C2- InChIKey
KFWCSAQRCFDGJD-UHFFFAOYSA-N- Molecular formula
- C15H20O
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.15141526
Names & identifiers
- Preferred name
- 7-(2-Octen-1-ylidene)bicyclo[2.2.1]hept-5-en-2-one
- IUPAC
- 7-oct-2-enylidenebicyclo[2.2.1]hept-5-en-2-one
Names & synonyms
DTXSID5012275417-(2-Octen-1-ylidene)bicyclo[2.2.1]hept-5-en-2-one7-(Oct-2-en-1-ylidene)bicyclo[2.2.1]hept-5-en-2-one112804-71-4
Database identifiers
- CAS
112804-71-4- PubChem CID
- 85541567
- DTXSID
DTXSID501227541
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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