Basic information
- CAS
541-63-9- Standard SMILES
CCC(C)(C)OC(O)C(Cl)(Cl)Cl- InChIKey
VSYFHDGUUKGQEW-UHFFFAOYSA-N- Molecular formula
- C7H13Cl3O2
- Average molar mass
- 235.5 g/mol
- Monoisotopic mass
- 233.998113
Names & identifiers
- Preferred name
- Ethanol, 1-(tert-pentyloxy)-2,2,2-trichloro-
- IUPAC
- 2,2,2-trichloro-1-(2-methylbutan-2-yloxy)ethanol
Names & synonyms
DormiolAmylenechloral1-(tert-Pentyloxy)-2,2,2-trichloroethanol541-63-9BRN 1701443ETHANOL, 1-(tert-PENTYLOXY)-2,2,2-TRICHLORO-1-01-00-00330 (Beilstein Handbook Reference)2,2,2-Trichloro-1-(1,1-dimethylpropoxy)-ethanolRefChem:3406542,2,2-Trichloro-1-(1,1-dimethylpropoxy)-ethanol (9CI)2,2,2-Trichloro-1-[(2-methylbutan-2-yl)oxy]ethan-1-olDTXSID50968969
Database identifiers
- CAS
541-63-9- PubChem CID
- 10936
- DTXSID
DTXSID50968969- Nikkaji
- J21.557K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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