6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran
Basic information
- CAS
102828-05-7- Standard SMILES
CC1(C)O[C@H]2c3ccccc3C(=O)C[C@H]2C[C@H]1O- InChIKey
BXZMLPWGVQRDDD-CUOATXAZSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran
- IUPAC
- (3R,4aR,10bR)-3-hydroxy-2,2-dimethyl-4,4a,5,10b-tetrahydro-3H-benzo[h]chromen-6-one
Names & synonyms
102828-05-76-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran6-oxo-THDNPRefChem:105201(3R,4aR,10bR)-3-hydroxy-2,2-dimethyl-3H,4H,4aH,5H,10bH-naphtho(1,2-b)pyran-6-oneDTXSID509080623-Hydroxy-2,2-dimethyl-3,4,4a,10b-tetrahydro-2H-naphtho[1,2-b]pyran-6(5H)-one(3R,4aR,10bR)-3-Hydroxy-2,2-dimethyl-3,4,4a,10b-tetrahydro-2H-naphtho[1,2-b]pyran-6(5H)-one
Database identifiers
- CAS
102828-05-7- PubChem CID
- 190451
- DTXSID
DTXSID50908062
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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