Basic information
- CAS
6472-01-1- Standard SMILES
CC(C)C1OC(c2ccccc2Cl)OCC1(C)C- InChIKey
HSNQKHLDFUPCMG-UHFFFAOYSA-N- Molecular formula
- C15H21ClO2
- Average molar mass
- 268.78 g/mol
- Monoisotopic mass
- 268.1230076
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-5,5-dimethyl-4-(propan-2-yl)-1,3-dioxane
- IUPAC
- 2-(2-chlorophenyl)-5,5-dimethyl-4-propan-2-yl-1,3-dioxane
Names & synonyms
6472-01-12-(2-chlorophenyl)-5,5-dimethyl-4-(propan-2-yl)-1,3-dioxaneNSC7160DTXSID10983355NSC-7160
Database identifiers
- CAS
6472-01-1- PubChem CID
- 222014
- DTXSID
DTXSID10983355
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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