Basic information
- CAS
6282-80-0- Standard SMILES
CC1(C)COC(CCl)OC1- InChIKey
SWKNHIFWKFUIKP-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5,5-dimethyl-1,3-dioxane
- IUPAC
- 2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
Names & synonyms
6282-80-02-(chloromethyl)-5,5-dimethyl-1,3-dioxaneNSC7096SCHEMBL10976402DTXSID70278375NSC-7096AKOS0063836252-(chloromethyl)-5,5-dimethyl-[1,3]dioxane
Database identifiers
- CAS
6282-80-0- PubChem CID
- 221963
- DTXSID
DTXSID70278375
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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