Basic information
- CAS
42314-08-9- Standard SMILES
CC(C)COCC(O)CCl- InChIKey
OYLSNRGLWVHWNI-UHFFFAOYSA-N- Molecular formula
- C7H15ClO2
- Average molar mass
- 166.64 g/mol
- Monoisotopic mass
- 166.0760574
Names & identifiers
- Preferred name
- 1-Chloro-3-(2-methylpropoxy)propan-2-ol
- IUPAC
- 1-chloro-3-(2-methylpropoxy)propan-2-ol
- English name
- 1-chloro-3-(2-methylpropoxy)propan-2-ol
- Molecular formula
- C7H15ClO2
- Molecular weight
- 166.65
Names & synonyms
1-Chloro-3-(2-methylpropoxy)propan-2-ol42314-08-9NSC86962EINECS 255-757-1NCIOpen2_001077DTXSID4012782082-Propanol, 1-chloro-3-isobutoxyNSC 86962NSC-86962AKOS0063844491-Chloro-3-(2-methylpropoxy)-2-propanolNS00057315
Show more names
1-Chloro-3-isobutoxy-2-propanol2-Propanol, 1-chloro-3-(2-methylpropoxy)-
Database identifiers
- CAS
42314-08-9- PubChem CID
- 98178
- DTXSID
DTXSID401278208- EC Number
- 255-757-1
- Nikkaji
- J25.022H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 76
Physicochemical properties
- Boiling point
- 100 · 100-100.2 °C(Press: 20 Torr)
- Density
- 1.0313 g/cm3 · 1.0313 g/cm3(Temp: 25 °C)
- pka
- 13.24 · 13.24±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…