((1,2,5,6-eta -1,5-cyclooctadiene bis((4-(trimethylsilyl phenylethynyl-platinum
General Information
| Mainterm | ((1,2,5,6-eta -1,5-cyclooctadiene bis((4-(trimethylsilyl phenylethynyl-platinum |
| CAS Reg.No.(or other ID) | 234112-62-0 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 73555415 |
| IUPAC Name | (1Z,5Z)-cycloocta-1,5-diene;(4-ethynylphenyl)-trimethylsilane;platinum(2+) |
| InChI | InChI=1S/2C11H13Si.C8H12.Pt/c2*1-5-10-6-8-11(9-7-10)12(2,3)4;1-2-4-6-8-7-5-3-1;/h2*6-9H,2-4H3;1-2,7-8H,3-6H2;/q2*-1;;+2/b;;2-1-,8-7-; |
| InChI Key | UDXYDMYGMWBFDM-KEUNEWJHSA-N |
| Canonical SMILES | C[Si](C)(C)C1=CC=C(C=C1)C#[C-].C[Si](C)(C)C1=CC=C(C=C1)C#[C-].C1CC=CCCC=C1.[Pt+2] |
| Molecular Formula | C30H38PtSi2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 649.888 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Complexity | 490.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 4 A A w A A A A A A A A A B A A A A A A A A A A A A A A w Y A A A A A A Q A A A B Q A A A G B A A A A A A D A C A O A B y A I A A A A H A E i B C A A g C A A A g A A A I i A A A A I g I I C K A E R C A I A A g g A A I i A c A g A A O A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 0.0 |
| Monoisotopic Mass | 649.216 |
| Exact Mass | 649.216 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 4 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organometallic compounds |
| Class | Organometalloid compounds |
| Subclass | Organosilicon compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkylarylsilanes |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Alkylarylsilane - Monocyclic benzene moiety - Benzenoid - Metal acetylide - Acetylide - Cyclic olefin - Cycloalkene - Organic metalloid salt - Organic transition metal salt - Carbide - Salt-like carbide - Unsaturated aliphatic hydrocarbon - Organic salt - Hydrocarbon derivative - Unsaturated hydrocarbon - Alkylsilane - Olefin - Organic cation - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl). |
From ClassyFire