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Molecule
Dichloro(Cycloocta-1,5-Diene)Platinum(Ii)
CAS: 12080-32-9 · C8H12Cl2Pt
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12080-32-9
- Molecular Formula
- C8H12Cl2Pt
- Molecular Mass
- 374.17 g/mol
Identifiers
CAS Registry Number
12080-32-9
SMILES
C1=CCCC=CCC1.[Cl-].[Cl-].[Pt+2]
InChI Key
VVAOPCKKNIUEEU-UHFFFAOYSA-L
InChI
InChI=1S/C8H12.2ClH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
Names and Synonyms
- Dichloro(Cycloocta-1,5-Diene)Platinum(Ii) Synonym
- Platinum, dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]- Synonym
- Platinum, dichloro(1,5-cyclooctadiene)- Synonym
- 1,5-Cyclooctadiene, platinum complex Synonym
- Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]platinum Synonym
- Dichloro(1,5-cyclooctadiene)platinum Synonym
- 1,5-Cyclooctadienedichloroplatinum Synonym
- (1,5-Cyclooctadiene)platinum dichloride Synonym
- (1,5-Cyclooctadiene)platinum(II) dichloride Synonym
- Dichloro(1,5-cyclooctadiene)-platinum(II) Synonym
- NSC 239486 Synonym
- Platinum, dichloro[(1,2,4,5-η)-1,4-cyclooctadiene]- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.17 g/mol | CAS Common Chemistry |
| 374.168 g/mol | RDKit | |
| 378.2 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichloro(cycloocta-1,5-diene)platinum(II) | CAS Common Chemistry |
| Canonical SMILES | [Cl-][Pt+2]123([Cl-])[CH]=4CC[CH]3=[CH]2CC[CH]41 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12.2ClH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=VVAOPCKKNIUEEU-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 250-280 °C (decomp) | CAS Common Chemistry |
| Name | Dichloro[(1,2,5,6-η)-1,5-cyclooctadiene]platinum | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.321699999999997 | RDKit |
| -3.3217 | RDKit | |
| Molar Refractivity | 36.748 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 372.996396844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 374.17 g/mol. Edit any field — others recompute live.
