(1R,2R,3R,6R)-3-methoxy-3-methyl-6-prop-1-en-2-ylcyclohexane-1,2-diol
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Basic information
- CAS
678159-57-4- Standard SMILES
C=C(C)[C@H]1CC[C@@](C)(OC)[C@H](O)[C@@H]1O- InChIKey
KOTBLODXUFVGSF-GWOFURMSSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- (1R,2R,3R,6R)-3-methoxy-3-methyl-6-prop-1-en-2-ylcyclohexane-1,2-diol
- IUPAC
- (1R,2R,3R,6R)-3-methoxy-3-methyl-6-prop-1-en-2-ylcyclohexane-1,2-diol
- English name
- 1,2-Cyclohexanediol,3-methoxy-3-methyl-6-(1-methylethenyl)-,(1R,2R,3R,6R)-rel-(9CI)
- Molecular formula
- C11H20O3
- Molecular weight
- 200.27
Names & synonyms
1,2-Cyclohexanediol, 3-methoxy-3-methyl-6-(1-methylethenyl)-, (1R,2R,3R,6R)-rel-1,2-Cyclohexanediol,3-methoxy-3-methyl-6-(1-methylethenyl)-,(1R,2R,3R,6R)-rel-(9CI)
Database identifiers
- CAS
678159-57-4- PubChem CID
- 12018816
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 250.9 · 250.9±40.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 14.05 · 14.05±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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