Basic information
- CAS
52053-17-5- Standard SMILES
C[C@@H]1C[C@H](C)OC(CCl)O1- InChIKey
LFQFLCODYLKNOZ-MEKDEQNOSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- (4R,6S)-2-(chloromethyl)-4,6-dimethyl-1,3-dioxane
- IUPAC
- (4R,6S)-2-(chloromethyl)-4,6-dimethyl-1,3-dioxane
Names & synonyms
NSC37823052053-17-5(4R,6S)-2-(chloromethyl)-4,6-dimethyl-1,3-dioxaneDTXSID60321586NSC-378230
Database identifiers
- CAS
52053-17-5- PubChem CID
- 342240
- DTXSID
DTXSID60321586
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 97.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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