2-Butoxy-3,3-dimethyl-2-phenyloxirane
Basic information
- CAS
13605-61-3- Standard SMILES
CCCCOC1(c2ccccc2)OC1(C)C- InChIKey
DBNFSGNQWXRYDF-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 2-Butoxy-3,3-dimethyl-2-phenyloxirane
- IUPAC
- 2-butoxy-3,3-dimethyl-2-phenyloxirane
Names & synonyms
13605-61-32-butoxy-3,3-dimethyl-2-phenyloxiraneNSC401707DTXSID80322631NSC-401707
Database identifiers
- CAS
13605-61-3- PubChem CID
- 344664
- DTXSID
DTXSID80322631
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…