(5R,6S)-5,6-dimethyloxan-2-one
Basic information
- CAS
139164-07-1- Standard SMILES
C[C@@H]1CCC(=O)O[C@H]1C- InChIKey
HAXARIVGMMVELD-RITPCOANSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- (5R,6S)-5,6-dimethyloxan-2-one
- IUPAC
- (5R,6S)-5,6-dimethyloxan-2-one
Names & synonyms
HAXARIVGMMVELD-RITPCOANSA-(5R,6S)-5,6-dimethyloxan-2-onetrans-4,5- DimethylvalerolactonHAXARIVGMMVELD-RITPCOANSA-NDTXSID401213826139164-07-15,6-Dimethyltetrahydro-2H-pyran-2-one #2H-Pyran-2-one, tetrahydro-5,6-dimethyl-, (5R-trans)-InChI=1/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
Database identifiers
- CAS
139164-07-1- PubChem CID
- 12242467
- DTXSID
DTXSID401213826- Nikkaji
- J505.071E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
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Compound notes
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