Basic information
- CAS
123919-30-2- Standard SMILES
CCO[C@@H]1C[C@H](OCC2CC=CCC2)[C@H]2CO[C@]1(CC)O2- InChIKey
XWSBZJUFYOTJGU-JQRKRLSSSA-N- Molecular formula
- C17H28O4
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.19875937
Names & identifiers
- Preferred name
- (1R,2S,4R,5R)-2-(cyclohex-3-en-1-ylmethoxy)-4-ethoxy-5-ethyl-6,8-dioxabicyclo[3.2.1]octane
- IUPAC
- (1R,2S,4R,5R)-2-(cyclohex-3-en-1-ylmethoxy)-4-ethoxy-5-ethyl-6,8-dioxabicyclo[3.2.1]octane
- English name
- .beta.-D-ribo-3-Octulopyranose, 3,8-anhydro-6-O-(3-cyclohexen-1-ylmethyl)-1,2,5-trideoxy-4-O-ethyl-
- Molecular formula
- C17H28O4
- Molecular weight
- 296.41
Names & synonyms
.beta.-D-ribo-3-Octulopyranose, 3,8-anhydro-6-O-(3-cyclohexen-1-ylmethyl)-1,2,5-trideoxy-4-O-ethyl-β-D-ribo-3-Octulopyranose, 3,8-anhydro-6-O-(3-cyclohexen-1-ylmethyl)-1,2,5-trideoxy-4-O-ethyl- (9CI)
Database identifiers
- CAS
123919-30-2- PubChem CID
- 170851117
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 376.4 · 376.4±42.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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