1-Bicyclo[4.1.0]hept-7-yl-1-pentanone
Basic information
- CAS
54764-59-9- Standard SMILES
CCCCC(=O)C1C2CCCCC21- InChIKey
BYUUONUALZVHNS-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 1-Bicyclo[4.1.0]hept-7-yl-1-pentanone
- IUPAC
- 1-(7-bicyclo[4.1.0]heptanyl)pentan-1-one
- English name
- 1-Bicyclo[4.1.0]hept-7-yl-1-pentanone
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
1-Bicyclo[4.1.0]hept-7-yl-1-pentanone54764-59-91-Pentanone, 1-bicyclo[4.1.0]hept-7-yl-DTXSID30342203BYUUONUALZVHNS-UHFFFAOYSA-NDB-3013251-Bicyclo[4.1.0]hept-7-yl-1-pentanone #1-(Bicyclo[4.1.0]heptan-7-yl)pentan-1-one
Database identifiers
- CAS
54764-59-9- PubChem CID
- 579683
- DTXSID
DTXSID30342203- Nikkaji
- J113.649F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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