Basic information
- CAS
94109-56-5- Standard SMILES
C[C@H](O)CCOCC[C@@H](C)O- InChIKey
AFSYRVDDZGJTIL-OCAPTIKFSA-N- Molecular formula
- C8H18O3
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.12559443
Names & identifiers
- Preferred name
- (R*,S*)-(1)-4,4'-Oxydibutan-2-ol
- IUPAC
- (2R)-4-[(3S)-3-hydroxybutoxy]butan-2-ol
Names & synonyms
(R*,S*)-(1)-4,4'-Oxydibutan-2-ol94109-56-5EINECS 302-498-8(2R)-4-[(3S)-3-hydroxybutoxy]butan-2-olDTXSID50240616AFSYRVDDZGJTIL-OCAPTIKFSA-N
Database identifiers
- CAS
94109-56-5- PubChem CID
- 56841191
- DTXSID
DTXSID50240616- EC Number
- 302-498-8
- Nikkaji
- J365.365J
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
- 75.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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