4-Ethoxy-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane
Basic information
- CAS
827024-54-4- Standard SMILES
CCOC1(C)CCC2(C(C)C)CC12- InChIKey
NOQJZZYQMRJNHB-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 4-Ethoxy-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane
- IUPAC
- 4-ethoxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
Names & synonyms
827024-54-4SCHEMBL166338684-Ethoxy-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexaneDTXSID60837157
Database identifiers
- CAS
827024-54-4- PubChem CID
- 71417827
- DTXSID
DTXSID60837157
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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