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Molecule
Bis(Η2-Ethene)(2,4-Pentanedionato-Κo,Κo′)Rhodium
CAS: 12082-47-2 · C9H15O2Rh
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12082-47-2
- Molecular Formula
- C9H15O2Rh
- Molecular Mass
- 258.12 g/mol
Identifiers
CAS Registry Number
12082-47-2
SMILES
C=C.C=C.CC(=O)[CH-]C(C)=O.[Rh+]
InChI Key
JQAQEAYNENHVHZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7O2.2C2H4.Rh/c1-4(6)3-5(2)7;2*1-2;/h3H,1-2H3;2*1-2H2;/q-1;;;+1
Names and Synonyms
- Bis(Η2-Ethene)(2,4-Pentanedionato-Κo,Κo′)Rhodium Synonym
- Rhodium, bis(η2-ethene)(2,4-pentanedionato-κO,κO′)- Synonym
- Rhodium, bis(ethylene)(2,4-pentanedionato)- Synonym
- Rhodium, bis(η2-ethene)(2,4-pentanedionato-O,O′)- Synonym
- Rhodium, (2,4-pentanedionato)bis(ethylene)- Synonym
- Bis(η2-ethene)(2,4-pentanedionato-κO,κO′)rhodium Synonym
- (Acetylacetonato)bis(ethylene)rhodium Synonym
- Bisethylenerhodium acetylacetonate Synonym
- Bis(ethylene)(2,4-pentanedionato)rhodium Synonym
- Diethylene(acetylacetonato)rhodium Synonym
- 2,4-Pentanedionatobis(ethylene)rhodium Synonym
- Bis(ethylene)rhodium(I) acetylacetonate Synonym
- Acetylacetonatobis(ethylene)rhodium(I) Synonym
- 2,4-Pentanedionatobis(ethylene)rhodium(I) Synonym
- bis(η2-ethene)(2,4-pentanedionato-κO,κO′)rhodiumn Synonym
- Diethenylrhodium acetylacetonate Synonym
- (Acetylacetonato)bis(η2-ethylene)rhodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.12 g/mol | CAS Common Chemistry |
| 258.123 g/mol | RDKit | |
| 262.155 g/mol | chempirical lib | |
| Canonical SMILES | O1=C([CH-]C(=O[Rh+]123([CH2]=[CH2]2)[CH2]=[CH2]3)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H7O2.2C2H4.Rh/c1-4(6)3-5(2)7;2*1-2;/h3H,1-2H3;2*1-2H2;/q-1;;;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=JQAQEAYNENHVHZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(η2-ethene)(2,4-pentanedionato-κO,κO′)rhodium | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 1.9705899999999998 | RDKit |
| 1.9706 | RDKit | |
| Molar Refractivity | 48.17000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| Exact Mass | 258.01270872000003 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 |
|---|
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 = 258.12 g/mol. Edit any field — others recompute live.
