Basic information
- CAS
77901-42-9- Standard SMILES
Cc1cc2c(c(=O)o1)CCC(C)(C)O2- InChIKey
FATSIZOBRODHGN-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2,2,7-Trimethyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-one
- IUPAC
- 2,2,7-trimethyl-3,4-dihydropyrano[3,2-c]pyran-5-one
Names & synonyms
77901-42-9DTXSID005465742,2,7-Trimethyl-3,4-dihydro-2H,5H-pyrano[4,3-b]pyran-5-one
Database identifiers
- CAS
77901-42-9- PubChem CID
- 13680795
- DTXSID
DTXSID00546574
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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