Basic information
- Standard SMILES
C=CCC1C(Cl)(Cl)CCC2OC21Cl- InChIKey
SOSNPPJNYXWUHE-UHFFFAOYSA-N- Molecular formula
- C9H11Cl3O
- Average molar mass
- 241.5 g/mol
Names & identifiers
- Preferred name
- 2-Allyl-1,3,3-trichloro-7-oxabicyclo[4.1.0]heptane
- IUPAC
- 1,3,3-trichloro-2-prop-2-enyl-7-oxabicyclo[4.1.0]heptane
Names & synonyms
SCHEMBL9250506SOSNPPJNYXWUHE-UHFFFAOYSA-N2allyl,1,3,3-trichloro-7-oxabicyclo[4.1.0]heptane2-allyl-1,3,3-trichloro-7-oxabicyclo[4.1.0]heptane
Database identifiers
- PubChem CID
- 18970962
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
6 records
Compound notes
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