Basic information
- CAS
63980-62-1- Standard SMILES
CC(C)CC(CC(C)C)OCCOCCO- InChIKey
PUYQBWNBLFXRIO-UHFFFAOYSA-N- Molecular formula
- C13H28O3
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.20384475
Names & identifiers
- Preferred name
- Ethanol, 2-(2-(1-isobutyl-3-methylbutoxy)ethoxy)-
- IUPAC
- 2-[2-(2,6-dimethylheptan-4-yloxy)ethoxy]ethanol
- English name
- 2-[2-(1-Isobutyl-3-methylbutoxy)ethoxy]ethanol
- Molecular formula
- C13H28O3
- Molecular weight
- 232.36
Names & synonyms
63980-62-12-(2-(Diisobutylmethoxy)ethoxy)ethanolETHANOL, 2-(2-(1-ISOBUTYL-3-METHYLBUTOXY)ETHOXY)-2-(2-(1-Isobutyl-3-methylbutoxy)ethoxy)ethanolDTXSID102138662-[2-(1-Isobutyl-3-methylbutoxy)ethoxy]ethanolRefChem:340823DTXCID401363572-{2-[(2,6-dimethylheptan-4-yl)oxy]ethoxy}ethan-1-olDB-313365Ethanol, 2-[2-[3-methyl-1-(2-methylpropyl)butoxy]ethoxy]-
Database identifiers
- CAS
63980-62-1- PubChem CID
- 45951
- DTXSID
DTXSID10213866- Nikkaji
- J78.151G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 314.53 °C · 314.53°C (rough estimate)
- Density
- 1.0149 · 1.0149 (rough estimate)
- refractive index
- 1.412 · 1.4120 (estimate)
- pka
- 14.36 · 14.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…