| Canonical Smiles | CC1=CCCC2(C1CC(CC2)C(=C)C)C |
|---|---|
| IUPAC Name | (3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene |
| InChIKey | OZQAPQSEYFAMCY-QLFBSQMISA-N |
| INCHI | 1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15-/m1/s1 |
| Isomeric SMILES | CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C |
| Alternate CAS | 473-13-2 |
| PubChem CID | 10856614 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Sesquiterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| Alternative Parents | Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. |
| External Descriptors | selinene |
| Molecular Weight | 204.350 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 204.188 Da |
| Monoisotopic Mass | 204.188 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 297.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
