Basic information
- CAS
94430-42-9- Standard SMILES
CC1CCC2C(C1)N(c1ccccc1)OC2(C)C- InChIKey
ZLBHWUSWKCOFDB-UHFFFAOYSA-N- Molecular formula
- C16H23NO
- Average molar mass
- 245.36 g/mol
- Monoisotopic mass
- 245.17796436
Names & identifiers
- Preferred name
- 3,3,6-Trimethyl-1-phenyloctahydro-2,1-benzoxazole
- IUPAC
- 3,3,6-trimethyl-1-phenyl-3a,4,5,6,7,7a-hexahydro-2,1-benzoxazole
Names & synonyms
94430-42-93,3,6-Trimethyl-1-phenyloctahydrobenzo[c]isoxazole3,3,6-trimethyl-1-phenyloctahydro-2,1-benzoxazoleNSC152369DTXSID90302641NSC-152369
Database identifiers
- CAS
94430-42-9- PubChem CID
- 289909
- DTXSID
DTXSID90302641
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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