Basic information
- CAS
33243-75-3- Standard SMILES
C#CC(C)(C)OC(O)C(Cl)(Cl)Cl- InChIKey
RNKGVZHCPIRTEZ-UHFFFAOYSA-N- Molecular formula
- C7H9Cl3O2
- Average molar mass
- 231.5 g/mol
- Monoisotopic mass
- 229.966813
Names & identifiers
- Preferred name
- Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-
- IUPAC
- 2,2,2-trichloro-1-(2-methylbut-3-yn-2-yloxy)ethanol
Names & synonyms
33243-75-3Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-RefChem:1084430NC 1541NSC 196165BRN 17719972,2,2-trichloro-1-(2-methylbut-3-yn-2-yloxy)ethanol(2,2,2-Trichloro-1-(1,1-dimethyl-(2-propyne-1-oxy))ethanol)DTXSID701385046NSC196165NSC-196165DS-007549
Database identifiers
- CAS
33243-75-3- PubChem CID
- 99734
- DTXSID
DTXSID701385046
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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