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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(C2CC(C(C1C2)(C)NC(=O)OC(C)(C)C)C(=O)NC)C |
|---|---|
| IUPAC Name | tert-butyl N-[(1R,2R,3S,5R)-2,6,6-trimethyl-3-(methylcarbamoyl)-2-bicyclo[3.1.1]heptanyl]carbamate |
| InChIKey | YYIOUIMMZRRKRK-AEMSQSNESA-N |
| INCHI | 1S/C17H30N2O3/c1-15(2,3)22-14(21)19-17(6)11(13(20)18-7)8-10-9-12(17)16(10,4)5/h10-12H,8-9H2,1-7H3,(H,18,20)(H,19,21)/t10-,11+,12+,17-/m0/s1 |
| Isomeric SMILES | C[C@@]1([C@H](C[C@H]2C[C@@H]1C2(C)C)C(=O)NC)NC(=O)OC(C)(C)C |
| PubChem CID | 17039388 |
| Molecular Weight | 310.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bicyclic monoterpenoids |
| Alternative Parents | Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Bicyclic monoterpenoid - Pinane monoterpenoid - Carbamic acid ester - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
| External Descriptors | Not available |
| Molecular Weight | 310.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 310.226 Da |
| Monoisotopic Mass | 310.226 Da |
| Topological Polar Surface Area | 67.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![(1R,2R,3S,5R)-(2,6,6-Trimethyl-3-methylcarbamoyl-bicyclo[3.1.1]hept-2-yl)-carbamic acid tert-butyl ester , CAS No.705949-04-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)