Basic information
- CAS
94109-58-7- Standard SMILES
C[C@H](CCO)OCC[C@@H](C)O- InChIKey
HNXKBOZFEUCZHF-HTQZYQBOSA-N- Molecular formula
- C8H18O3
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.12559443
Names & identifiers
- Preferred name
- (R*,R*)-(1)-3-(3-Hydroxybutoxy)butanol
- IUPAC
- (2R)-4-[(2R)-4-hydroxybutan-2-yl]oxybutan-2-ol
Names & synonyms
94109-58-7(R*,R*)-(1)-3-(3-Hydroxybutoxy)butanolEINECS 302-500-7(3R)-3-[(3R)-3-hydroxybutoxy]butan-1-olHNXKBOZFEUCZHF-HTQZYQBOSA-NDTXSID601263615rel-(3R)-3-[(3R)-3-Hydroxybutoxy]-1-butanol
Database identifiers
- CAS
94109-58-7- PubChem CID
- 56841192
- DTXSID
DTXSID601263615- EC Number
- 302-500-7
- Nikkaji
- J365.366H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 85.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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