5,5-Bis(chloromethyl)-1,3-dioxane
Basic information
- CAS
61729-08-6- Standard SMILES
ClCC1(CCl)COCOC1- InChIKey
JHAQXZIDTIBYHH-UHFFFAOYSA-N- Molecular formula
- C6H10Cl2O2
- Average molar mass
- 185.05 g/mol
- Monoisotopic mass
- 184.0057849
Names & identifiers
- Preferred name
- 5,5-Bis(chloromethyl)-1,3-dioxane
- IUPAC
- 5,5-bis(chloromethyl)-1,3-dioxane
Names & synonyms
5,5-bis(chloromethyl)-1,3-dioxane61729-08-6DTXSID40326115RefChem:298277DTXCID90277229NSC524089NSC-524089
Database identifiers
- CAS
61729-08-6- PubChem CID
- 351950
- DTXSID
DTXSID40326115
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.9
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Compound notes
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