Basic information
- CAS
57456-96-9- Standard SMILES
CC1(C)C[C@H](O)[C@H]2O[C@@]2(C)C1- InChIKey
QGHKPPNZUQCACP-OOZYFLPDSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- (1R,2S,6S)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol
- IUPAC
- (1R,2S,6S)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-ol
Names & synonyms
NSC31606457456-96-9(1R,2S,6S)-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-olDTXSID60317469NSC-316064
Database identifiers
- CAS
57456-96-9- PubChem CID
- 330106
- DTXSID
DTXSID60317469- Nikkaji
- J945.552C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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