(R*,S*)-(1)-3-(3-Hydroxybutoxy)butanol
Basic information
- CAS
94109-55-4- Standard SMILES
C[C@H](O)CCO[C@H](C)CCO- InChIKey
HNXKBOZFEUCZHF-JGVFFNPUSA-N- Molecular formula
- C8H18O3
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.12559443
Names & identifiers
- Preferred name
- (R*,S*)-(1)-3-(3-Hydroxybutoxy)butanol
- IUPAC
- (2S)-4-[(2R)-4-hydroxybutan-2-yl]oxybutan-2-ol
Names & synonyms
(R*,S*)-(1)-3-(3-Hydroxybutoxy)butanol94109-55-4EINECS 302-497-2(3R)-3-[(3S)-3-hydroxybutoxy]butan-1-olDTXSID90240615HNXKBOZFEUCZHF-JGVFFNPUSA-NNS00040067
Database identifiers
- CAS
94109-55-4- PubChem CID
- 56841190
- DTXSID
DTXSID90240615- EC Number
- 302-497-2
- Nikkaji
- J365.363C
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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