2-Methyl-2-(pentan-2-yl)propane-1,3-diol
Basic information
- CAS
25462-49-1- Standard SMILES
CCCC(C)C(C)(CO)CO- InChIKey
QGBQYMQTQNOOHP-UHFFFAOYSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.14632988
Names & identifiers
- Preferred name
- 2-Methyl-2-(pentan-2-yl)propane-1,3-diol
- IUPAC
- 2-methyl-2-pentan-2-ylpropane-1,3-diol
- English name
- 2-Methyl-2-(1-methylbutyl)-1,3-propanediol
- Molecular formula
- C9H20O2
- Molecular weight
- 160.25
Names & synonyms
2-methyl-2-(pentan-2-yl)propane-1,3-diol25462-49-1DTXSID40948356RefChem:1063678DTXCID8013765892-Methyl-2-(1-methylbutyl)-1,3-propanediolBRN 18478111,3-Propanediol, 2-methyl-2-(1-methylbutyl)-
Database identifiers
- CAS
25462-49-1- PubChem CID
- 117249
- DTXSID
DTXSID40948356- Nikkaji
- J50.859D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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