5-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-ethoxy-2H-1,3-benzodioxole
Basic information
- CAS
71712-46-4- Standard SMILES
CCOc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2- InChIKey
NIHAEKBRSKEYEJ-UHFFFAOYSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Names & identifiers
- Preferred name
- 5-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-ethoxy-2H-1,3-benzodioxole
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-1,3-benzodioxole
Names & synonyms
71712-46-4NSC352686SCHEMBL11090972DTXSID603199635-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-ethoxy-2H-1,3-benzodioxoleNSC-352686
Database identifiers
- CAS
71712-46-4- PubChem CID
- 336853
- DTXSID
DTXSID60319963
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
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