(7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate
Basic information
- CAS
91766-29-9- Standard SMILES
CC(=O)OCC1(COC(C)=O)CCC2OC2C1- InChIKey
MRVJTYULMLNRAL-UHFFFAOYSA-N- Molecular formula
- C12H18O5
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.11542367
Names & identifiers
- Preferred name
- (7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetate
- IUPAC
- [3-(acetyloxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl acetate
Names & synonyms
91766-29-9NSC61249DTXSID70289466(7-Oxabicyclo[4.1.0]heptane-3,3-diyl)bis(methylene) diacetateNSC-61249
Database identifiers
- CAS
91766-29-9- PubChem CID
- 247161
- DTXSID
DTXSID70289466
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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