2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl acetate
(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) acetate
Also Known As: EINECS 286-786-8|(1R:2R:3R)-3-Acetoxy-pinan|2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl acetate|(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) acetate|2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-3-YL ACETATE|2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol acetate|[1s-]-2,6,6-trimethylbicyclo[3.1.1]hept-3-ylacetate|2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTAN-3-YL ACETATE|Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, 3-acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.14633 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Monoisotopic Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 39776-82-4 |
|---|---|
| SMILES | CC1C2CC(C2(C)C)CC1OC(=O)C |
| InChIKey | KKZUXVTWZQWUSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl acetate (CAS 39776-82-4), with molecular formula C12H20O2 and molecular weight 196.14633 g/mol. IUPAC: (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) acetate.
2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl acetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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