2,2a(2)-Methylenebis[4,7-dihydro-1,3-dioxepin]
Basic information
- CAS
10192-63-9- Standard SMILES
C1=CCOC(CC2OCC=CCO2)OC1- InChIKey
WTAYCBZGTIYCEL-UHFFFAOYSA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Names & identifiers
- Preferred name
- 2,2a(2)-Methylenebis[4,7-dihydro-1,3-dioxepin]
- IUPAC
- 2-(4,7-dihydro-1,3-dioxepin-2-ylmethyl)-4,7-dihydro-1,3-dioxepine
Names & synonyms
SCHEMBL27438123DTXSID90126416710192-63-92,2'-Methylenebis(4,7-dihydro-2H-1,3-dioxepine)2,2a(2)-Methylenebis[4,7-dihydro-1,3-dioxepin]
Database identifiers
- CAS
10192-63-9- PubChem CID
- 85528335
- DTXSID
DTXSID901264167
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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