(1R,2S,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-ol
Basic information
- CAS
57456-95-8- Standard SMILES
C[C@]12CCC[C@H](O)[C@H]1O2- InChIKey
YXTCGMZRVAMAJM-XVMARJQXSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- (1R,2S,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-ol
- IUPAC
- (1R,2S,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-ol
Names & synonyms
57456-95-8AC1L7ALL(1R,2S,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-olDTXSID10318269NSC328154NSC-328154
Database identifiers
- CAS
57456-95-8- PubChem CID
- 332196
- DTXSID
DTXSID10318269- Nikkaji
- J1.736.636J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
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Compound notes
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