5-Hydroxy-2,2,8,8-tetramethyl-2,3,7,8-tetrahydropyrano[3,2-g]chromene-4,6-dione

HCID 290899

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Basic information

CAS: 14262-01-2
Standard SMILES: CC1(C)CC(=O)c2c(cc3c(c2O)C(=O)CC(C)(C)O3)O1
InChIKey: BKNCVMWIPJLHDY-UHFFFAOYSA-N
Molecular formula: C16H18O5
Average molar mass: 290.31 g/mol
Monoisotopic mass: 290.11542367

Names & identifiers

Preferred name: 5-Hydroxy-2,2,8,8-tetramethyl-2,3,7,8-tetrahydropyrano[3,2-g]chromene-4,6-dione
IUPAC: 5-hydroxy-2,2,8,8-tetramethyl-3,7-dihydropyrano[3,2-g]chromene-4,6-dione

Names & synonyms

14262-01-25-Hydroxy-2,2,8,8-tetramethyl-2,3,7,8-tetrahydropyrano[3,2-g]chromene-4,6-dioneNSC155353DTXSID80931545NSC-1553535-Hydroxy-2,2,8,8-tetramethyl-2,3,7,8-tetrahydro-4H,6H-benzo[1,2-b:5,4-b']dipyran-4,6-dione

Database identifiers

CAS: 14262-01-2
PubChem CID: 290899
DTXSID: DTXSID80931545

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 439

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