1-Bicyclo(4.2.0)octa-1,3,5-trien-7-yl-1-pentanone
Basic information
- CAS
6809-93-4- Standard SMILES
CCCCC(=O)C1Cc2ccccc21- InChIKey
XCLXRGHHJAIZOY-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 1-Bicyclo(4.2.0)octa-1,3,5-trien-7-yl-1-pentanone
- IUPAC
- 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-one
Names & synonyms
1-Benzocyclobutenyl n-butyl ketonePentanone, 1-benzocyclobutyl-BRN 2094084Bicyclo(4.2.0)octa-1,3,5-triene, 7-valeryl-1-Bicyclo(4.2.0)octa-1,3,5-trien-7-yl-1-pentanone1-Pentanone, 1-bicyclo(4.2.0)octa-1,3,5-trien-7-yl-6809-93-4KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL BUTYL1-Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-1-pentanoneRefChem:228189DTXSID30987532AKOS014312519
Show more names
1-(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)pentan-1-one
Database identifiers
- CAS
6809-93-4- PubChem CID
- 23246
- DTXSID
DTXSID30987532- Nikkaji
- J41.520K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
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Compound notes
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