RefChem:508335
ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate
Also Known As: Ethyl hexahydro-4,7-methanoindane-3a-carboxylate|EC 407-520-0|J3.781.458J|ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate|4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aR,4S,7R,7aR)-rel-|Ethyl -Octahydro-4,7-methano-3aH-indene-3a-carboxylate|4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-|4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-|A mixture of: ethyl exo-tricyclo(5.2.1.02,6)decane-endo-2-carboxylate; ethyl-endo-tricyclo(5.2.1.02,6)decane-exo-2-carboxylate|ethyl (3aR,4S,7R,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate|Ethyl (3aR,4S,7R,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate rel|4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3a?,4?,7?,7a?)-|4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aR,4S,7R,7aR)-|4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4beta,7beta,7aalpha)-|687-614-8|A mixture of: ethyl exo-tricyclo[5.2.1.02,6]decane-endo-2-carboxylate; ethyl-endo-tricyclo[5.2.1.02,6]decane-exo-2-carboxylate|Ethyl (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate|reaction mass of: ethyl exo-tricyclo[5.2.1.0.su.2,6.su.]decane-endo-2-carboxylate;ethyl-endo-tricyclo[5.2.1.0.su.2,6.su.]decane-exo-2-carboxylate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.14633 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Monoisotopic Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 80657-64-3 |
|---|---|
| SMILES | CCOC(=O)[C@@]12CCC[C@@H]1[C@@H]3CC[C@H]2C3 |
| InChIKey | MGQPKOBPXHENPO-LSCVPOLPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:508335 (CAS 80657-64-3), with molecular formula C13H20O2 and molecular weight 208.14633 g/mol. IUPAC: ethyl (1S,2R,6R,7R)-tricyclo[5.2.1.02,6]decane-2-carboxylate.