1,3-Propanediol, 2-ethyl-2-propyl-
Basic information
- CAS
25450-88-8- Standard SMILES
CCCC(CC)(CO)CO- InChIKey
QPIAAQDLOJNQMP-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-propyl-
- IUPAC
- 2-ethyl-2-propylpropane-1,3-diol
- English name
- 2-Ethyl-2-propyl-1,3-propanediol
- Molecular formula
- C8H18O2
- Molecular weight
- 146.23
Names & synonyms
2-Ethyl-2-propyl-1,3-propanediol1,3-Propanediol, 2-ethyl-2-propyl-BRN 184737925450-88-8DTXSID80180112RefChem:219652DTXCID901026032-ethyl-2-propylpropane-1,3-diolSCHEMBL245331AKOS018004463
Database identifiers
- CAS
25450-88-8- PubChem CID
- 117489
- DTXSID
DTXSID80180112- Nikkaji
- J50.828D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Physicochemical properties
- Melting point
- 37 · 37-39 °C
- Boiling point
- 115 · 115-117 °C(Press: 0.5 Torr)
- Density
- 0.939 · 0.939±0.06 g/cm3(Predicted)
- pka
- 14.55 · 14.55±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…