(R*,R*)-(1)-3,3'-Oxydibutanol
Basic information
- CAS
94109-65-6- Standard SMILES
C[C@H](CCO)O[C@H](C)CCO- InChIKey
ZIYSJVFROIOYRQ-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'-Oxydibutanol
- IUPAC
- (3R)-3-[(2R)-4-hydroxybutan-2-yl]oxybutan-1-ol
Names & synonyms
(R*,R*)-(1)-3,3'-Oxydibutanol94109-65-6EINECS 302-505-4ZIYSJVFROIOYRQ-HTQZYQBOSA-NDTXSID801300441(3R,3'R)-3,3'-Oxydi(butan-1-ol)1-Butanol, 3,3a(2)-oxybis-, (R*,R*)-
Database identifiers
- CAS
94109-65-6- PubChem CID
- 56841193
- DTXSID
DTXSID801300441- EC Number
- 302-505-4
- Nikkaji
- J366.609C
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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