Basic information
- Standard SMILES
COc1cc2c(cc1OCC1COC(C)(C)O1)CCC2=O- InChIKey
BRXVKOQVUMMGSF-UHFFFAOYSA-N- Molecular formula
- C16H20O5
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13107373
Names & identifiers
- Preferred name
- 5-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-6-methoxy-indan-1-one
- IUPAC
- 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL3086753BRXVKOQVUMMGSF-UHFFFAOYSA-N5-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-6-methoxy-indan-1-one
Database identifiers
- PubChem CID
- 18445673
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
3 records
Linked notes
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