Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-
[(1R,3S,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate
Also Known As: 3,4-Caranediol 4-acetate|EINECS 249-017-7|KST-1A3516|J1.637.120C|Bicyclo(4.1.0)heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-|(1r,3s,4s,6s)-4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl acetate|(1alpha,3beta,4alpha,6alpha)-3-Hydroxy-3,7,7-trimethylbicyclo(4.1.0)hept-4-yl acetate|Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel-|(1alpha,3beta,4alpha,6alpha)-3-hydroxy-3,7,7-trimethylbicyclo[4.1.0]hept-4-yl acetate|(1R,3S,4S,6S)-4-HYDROXY-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPTAN-3-YL ACETATE|[(1R,3S,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate|[(1s,3s,4s,6r)-3-hydroxy-3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl] acetate|Acetic acid (1beta,6beta)-4beta-hydroxy-4,7,7-trimethylbicyclo[4.1.0]heptane-3alpha-yl ester|Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1.alpha.,3.beta.,4.alpha.,6.alpha.)-
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14125 g/mol |
| LogP | 1.74 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 293.2 |
Chemical Identifiers
| CAS Number | 28435-84-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O |
Product Overview
Bicyclo[4.1.0]heptane-3,4-diol, 3,7,7-trimethyl-, 4-acetate, (1R,3S,4S,6S)-rel- (CAS 28435-84-9), with molecular formula C12H20O3 and molecular weight 212.14125 g/mol. IUPAC: [(1R,3S,4S,6S)-4-hydroxy-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] acetate.
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