1,3-Propanediol, 2-ethyl-2-(1-ethylpropyl)-
Basic information
- CAS
25480-64-2- Standard SMILES
CCC(CC)C(CC)(CO)CO- InChIKey
QANQJIAMKLIZMJ-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-(1-ethylpropyl)-
- IUPAC
- 2-ethyl-2-pentan-3-ylpropane-1,3-diol
Names & synonyms
1,3-Propanediol, 2-ethyl-2-(1-ethylpropyl)-BRN 190142925480-64-22-Ethyl-2-(1-ethylpropyl)-1,3-propanediolDTXSID50180164RefChem:219644DTXCID601026552-ethyl-2-(pentan-3-yl)propane-1,3-diol
Database identifiers
- CAS
25480-64-2- PubChem CID
- 213095
- DTXSID
DTXSID50180164
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 104
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Compound notes
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