5-{[(Oxan-2-yl)oxy]methyl}-2H-1,3-benzodioxole
Basic information
- CAS
85604-71-3- Standard SMILES
c1cc2c(cc1COC1CCCCO1)OCO2- InChIKey
PKIBPPKNRXSIBN-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 5-{[(Oxan-2-yl)oxy]methyl}-2H-1,3-benzodioxole
- IUPAC
- 5-(oxan-2-yloxymethyl)-1,3-benzodioxole
Names & synonyms
85604-71-3NSC313015-{[(Oxan-2-yl)oxy]methyl}-2H-1,3-benzodioxoleDTXSID40283411NSC-31301
Database identifiers
- CAS
85604-71-3- PubChem CID
- 233164
- DTXSID
DTXSID40283411- Nikkaji
- J767.934C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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