Basic information
- CAS
58541-21-2- Standard SMILES
O=C(c1ccccc1)C12CCC3CC(CC(C3)C1)C2- InChIKey
IPUHRYLUOPTOLV-UHFFFAOYSA-N- Molecular formula
- C18H22O
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.16706532
Names & identifiers
- Preferred name
- Phenyl(3-tricyclo[4.3.1.13,8]undecanyl)methanone
- IUPAC
- phenyl(3-tricyclo[4.3.1.13,8]undecanyl)methanone
Names & synonyms
NSC25407458541-21-2DTXSID40330419NSC-254074Phenyl(tricyclo[4.3.1.1~3,8~]undecan-3-yl)methanone
Database identifiers
- CAS
58541-21-2- PubChem CID
- 429367
- DTXSID
DTXSID40330419
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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