Isobomyl acetate
[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Also Known As: Isobomyl acetate|Pichtosine|Pichtosin|Isobornyl acetate|Isobornyl ethanoate|Borneol, acetate|Isoborneol, acetate|L-Born-2-yl acetate|2-Bornyl acetate, exo-|2-Camphanyl acetate, exo-|AC1L1UGO|Acetic acid, isobornyl ester|RefChem:1093221|FEMA No. 2160|Npc55740|EINECS 204-727-6|AI3-02940|LS-2844|EC 204-727-6|exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate|1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo-|exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate|Q67879941|BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, ACETATE, EXO-|(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-|[(1S,3R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate|ACETATE, 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL, EXO-|exo - 1,7,7 - trimethylbicyclo(2.2.1)hept - 2 - yl acetate|Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-|Biciclo [2.2.1] heptan-2-ol, 1,7,7-trimetil-, 2-acetato, (1R, 2R, 4R)-rel-
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.14633 g/mol |
| LogP | 2.76 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 269.5 |
Chemical Identifiers
| CAS Number | 125-12-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C2(C)C)C |
Product Overview
Isobomyl acetate (CAS 125-12-2), with molecular formula C12H20O2 and molecular weight 196.14633 g/mol. IUPAC: [(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate.
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