1-[(2S,6S)-6-methoxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
Basic information
- CAS
457623-06-2- Standard SMILES
CO[C@H]1O[C@H](C(C)=O)CC=C1C- InChIKey
RQGNNEHTUKAXFK-IUCAKERBSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 1-[(2S,6S)-6-methoxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
- IUPAC
- 1-[(2S,6S)-6-methoxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
- English name
- Ethanone, 1-[(2S,6S)-3,6-dihydro-6-methoxy-5-methyl-2H-pyran-2-yl]- (9CI)
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
457623-06-2DB-276190ETHANONE, 1-[(2S,6S)-3,6-DIHYDRO-6-METHOXY-5-METHYL-2H-PYRAN-2-YL]-Ethanone, 1-[(2S,6S)-3,6-dihydro-6-methoxy-5-methyl-2H-pyran-2-yl]- (9CI)
Database identifiers
- CAS
457623-06-2- PubChem CID
- 11788525
- Nikkaji
- J1.705.113J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
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