Basic information
- CAS
54053-46-2- Standard SMILES
c1ccc(C23CC4CCCCC4CC2O3)cc1- InChIKey
PJKVIXWOHPVATL-UHFFFAOYSA-N- Molecular formula
- C16H20O
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.15141526
Names & identifiers
- Preferred name
- 1a-phenyl-2a,3,4,5,6,6a,7,7a-octahydro-2H-naphtho[2,3-b]oxirene
- IUPAC
- 1a-phenyl-2a,3,4,5,6,6a,7,7a-octahydro-2H-naphtho[2,3-b]oxirene
Names & synonyms
54053-46-2NSC 281066NSC2810661a-phenyl-2a,3,4,5,6,6a,7,7a-octahydro-2H-naphtho[2,3-b]oxireneDTXSID40314178NSC-2810661a-Phenyldecahydronaphtho[2,3-b]oxirene
Database identifiers
- CAS
54053-46-2- PubChem CID
- 322835
- DTXSID
DTXSID40314178
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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