Basic information
- Standard SMILES
CCOc1cc2c(cc1OCCCOC1CCCCO1)CCC2=O- InChIKey
IVAORGFXPQCXKA-UHFFFAOYSA-N- Molecular formula
- C19H26O5
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.17802393
Names & identifiers
- Preferred name
- 6-Ethoxy-5-[3-(tetrahydro-pyran-2-yloxy)-propoxy]-indan-1-one
- IUPAC
- 6-ethoxy-5-[3-(oxan-2-yloxy)propoxy]-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL3083740IVAORGFXPQCXKA-UHFFFAOYSA-N6-Ethoxy-5-[3-(tetrahydro-pyran-2-yloxy)-propoxy]-indan-1-one
Database identifiers
- PubChem CID
- 18445806
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
3 records
Compound notes
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