| Canonical Smiles | CC(=CCCC1(C2CC3C1(C3C2)C)C)C |
|---|---|
| IUPAC Name | 1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane |
| InChIKey | KWFJIXPIFLVMPM-UHFFFAOYSA-N |
| INCHI | 1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3 |
| Isomeric SMILES | CC(=CCCC1(C2CC3C1(C3C2)C)C)C |
| Alternate CAS | 512-61-8 |
| PubChem CID | 94164 |
| MeSH Entry Terms | alpha-santalene;beta-santalene |
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 | Sesquiterpenoids |
| Alternative Parents | Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Santalane sesquiterpenoid - 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
| External Descriptors | a sesquiterpenoid |
| Molecular Weight | 204.350 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| 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 | 309.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
