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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
Names and Synonyms:
Bis(Η2-Ethene)(2,4-Pentanedionato-Κo,Κo′)Rhodium
Rhodium, bis(η2-ethene)(2,4-pentanedionato-κO,κO′)-
Rhodium, bis(ethylene)(2,4-pentanedionato)-
Rhodium, bis(η2-ethene)(2,4-pentanedionato-O,O′)-
Rhodium, (2,4-pentanedionato)bis(ethylene)-
Bis(η2-ethene)(2,4-pentanedionato-κO,κO′)rhodium
(Acetylacetonato)bis(ethylene)rhodium
Bisethylenerhodium acetylacetonate
Bis(ethylene)(2,4-pentanedionato)rhodium
Diethylene(acetylacetonato)rhodium
2,4-Pentanedionatobis(ethylene)rhodium
Bis(ethylene)rhodium(I) acetylacetonate
Acetylacetonatobis(ethylene)rhodium(I)
2,4-Pentanedionatobis(ethylene)rhodium(I)
bis(η2-ethene)(2,4-pentanedionato-κO,κO′)rhodiumn
Diethenylrhodium acetylacetonate
(Acetylacetonato)bis(η2-ethylene)rhodium
Identifiers:
SMILES:
C=C.C=C.CC(=O)[CH-]C(C)=O.[Rh+]
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.12 g/mol | CAS Common Chemistry |
| 258.123 g/mol | RDKit | |
| 258.01270872000003 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 48.17000000000003 | RDKit |
