Basic information
- Standard SMILES
C[C@H](CO)[C@@H](C)CO- InChIKey
SKQUTIPQJKQFRA-OLQVQODUSA-N- Molecular formula
- C6H14O2
- Average molar mass
- 118.17 g/mol
- Monoisotopic mass
- 118.09937969
Names & identifiers
- Preferred name
- Meso-2,3-dimethyl-1,4-butanediol
- IUPAC
- (2R,3S)-2,3-dimethylbutane-1,4-diol
Names & synonyms
74939-90-5meso-2,3-dimethyl-1,4-butanediolrel-(2R,3S)-2,3-dimethylbutane-1,4-diolSCHEMBL7912566SKQUTIPQJKQFRA-OLQVQODUSA-NDTXSID601350583
Database identifiers
- PubChem CID
- 641002
- DTXSID
DTXSID601350583
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 46.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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