2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate (CAS 85391-32-8) — formula C12H20O2, molecular weight 196.29; category organic chemicals.
| CAS Number | 85391-32-8 |
|---|---|
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| LogP | 3.1 |
| Category | Organic Chemicals |
2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate is a carbon-based organic compound with CAS registry number 85391-32-8 and molecular formula C12H20O2 (molecular weight 196.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85391-32-8
Its molecular formula C12H20O2 comprises 12 C, 20 H, 2 O atoms.
Also known as: 2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate · 2,6,6-三甲基双环[3.1.1]庚-3-乙酸酯
Category: organic chemicals
The CAS registry number of 2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate is 85391-32-8.
Molecular formula C12H20O2, molecular weight 196.29.
It is also registered under: 2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate, 2,6,6-三甲基双环[3.1.1]庚-3-乙酸酯.
Category: Organic Chemicals.
Independent reference data for 2,6,6-trimethylbicyclo[3.1.1]hept-3-yl acetate (CAS 85391-32-8), compiled from public chemistry databases.
| CAS 号 | 85391-32-8 |
|---|---|
| PubChem CID | 297141 |
| 分子式 | C12H20O2 |
| IUPAC 名称 | (2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl) acetate |
| UNII（FDA） | NS00057270 |
| Molecular Weight | 196.29 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 196.146329876 |
| Monoisotopic Mass | 196.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
85391-32-8; EINECS 286-786-8; 2,6,6-Trimethylbicyclo(3.1.1)hept-3-yl acetate; NSC167913; SCHEMBL11195088; KKZUXVTWZQWUSI-UHFFFAOYSA-N; NSC-167913; NS00057270
2,6,6-三甲基双环[3.1.1]庚-3-乙酸酯 · CAS 85391-32-8 · C12H20O2. UNII NS00057270.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.