1,3-Propanediol, 2-(1-methylbutyl)-
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Basic information
- CAS
22131-29-9- Standard SMILES
CCCC(C)C(CO)CO- InChIKey
DIAKBGLNNAQLNA-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-(1-methylbutyl)-
- IUPAC
- 2-pentan-2-ylpropane-1,3-diol
- English name
- 2-(1-Methylbutyl)-1,3-propanediol
- Molecular formula
- C8H18O2
- Molecular weight
- 0
Names & synonyms
22131-29-91,3-Propanediol, 2-(1-methylbutyl)-RefChem:10530072-(1-Methylbutyl)-1,3-propanediol2-(pentan-2-yl)propane-1,3-diolBRN 1847384SCHEMBL8063877DTXSID209447702-(1-methyl-butyl)-propane-1,3-diol
Database identifiers
- CAS
22131-29-9- PubChem CID
- 90736
- DTXSID
DTXSID20944770- Nikkaji
- J50.857H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- 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
- 69.7
Related reactions
0 records
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Compound notes
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