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Molecule
Trimethyl(Methylcyclopentadienyl)Platinum
CAS: 94442-22-5 · C9H16Pt
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94442-22-5
- Molecular Formula
- C9H16Pt
- Molecular Mass
- 319.31 g/mol
Identifiers
CAS Registry Number
94442-22-5
SMILES
Cc1ccc[cH-]1.[CH3-].[CH3-].[CH3-].[Pt+4]
InChI Key
FSKLOGLSYZIRMP-UHFFFAOYSA-N
InChI
InChI=1S/C6H7.3CH3.Pt/c1-6-4-2-3-5-6;;;;/h2-5H,1H3;3*1H3;/q4*-1;+4
Names and Synonyms
- Trimethyl(Methylcyclopentadienyl)Platinum Synonym
- Platinum, trimethyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]- Synonym
- Platinum, trimethyl(methylcyclopentadienyl)- Synonym
- 1,3-Cyclopentadiene, 1-methyl-, platinum complex Synonym
- Trimethyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]platinum Synonym
- (Methylcyclopentadienyl)trimethylplatinum Synonym
- Trimethyl(methylcyclopentadienyl)platinum Synonym
- (η5-Methylcyclopentadienyl)trimethylplatinum Synonym
- Trimethyl(methylcyclopentadienyl)platinum(IV) Synonym
- HS 161 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 319.31 g/mol | CAS Common Chemistry |
| 319.305 g/mol | RDKit | |
| 325.359 g/mol | chempirical lib | |
| Canonical SMILES | C[C-]12[CH]3=[CH]4[CH]5=[CH]1[Pt+4]4532([CH3-])([CH3-])[CH3-] | CAS Common Chemistry |
| InChI | InChI=1S/C6H7.3CH3.Pt/c1-6-4-2-3-5-6;;;;/h2-5H,1H3;3*1H3;/q4*-1;+4 | CAS Common Chemistry |
| InChI Key | InChIKey=FSKLOGLSYZIRMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethyl(methylcyclopentadienyl)platinum | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.0622900000000017 | RDKit |
| 3.0623 | RDKit | |
| Molar Refractivity | 46.014000000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| Exact Mass | 319.089991612 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 319.31 g/mol. Edit any field — others recompute live.
