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[(1,2,5,6-Η)-1,5-Cyclooctadiene](2,4-Pentanedionato-Κo2,Κo4)Rhodium
CAS: 12245-39-5 | C13H19O2Rh
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12245-39-5
Molecular Formula:
C13H19O2Rh
Molecular Mass:
310.20 g/mol
Names and Synonyms:
[(1,2,5,6-Η)-1,5-Cyclooctadiene](2,4-Pentanedionato-Κo2,Κo4)Rhodium
Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](2,4-pentanedionato-κO2,κO4)-
Rhodium, (1,5-cyclooctadiene)(2,4-pentanedionato)-
Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](2,4-pentanedionato-O,O′)-
Rhodium, (2,4-pentanedionato)(1,5-cyclooctadiene)-
Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](2,4-pentanedionato-κO,κO′)-
1,5-Cyclooctadiene, rhodium complex
[(1,2,5,6-η)-1,5-Cyclooctadiene](2,4-pentanedionato-κO2,κO4)rhodium
(1,5-Cyclooctadiene)(acetylacetonate)rhodium
Acetylacetonate(1,5-cyclooctadiene)rhodium
(Acetylacetonato)(cyclooctadiene)rhodium
(Acetylacetonato)(1,5-cyclooctadiene)rhodium
Rhodium 1,5-cyclooctadiene(2,4-pentanedionate)
(1,5-Cyclooctadiene)rhodium acetylacetonate
(1,5-Cyclooctadiene)(2,4-pentadionato)rhodium(I)
NSC 240030
Acetylacetonate(cyclooctadiene)rhodium
(1,5-Cyclooctadiene)(acetylacetonato)rhodium(I)
(Acetylacetonato)(η4-1,5-cyclooctadiene)rhodium
Identifiers:
SMILES:
C1=CCCC=CCC1.CC(=O)[CH-]C(C)=O.[Rh+]
InChI:
InChI=1S/C8H12.C5H7O2.Rh/c1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;/h1-2,7-8H,3-6H2;3H,1-2H3;/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 | 310.20 g/mol | CAS Common Chemistry |
| 310.19899999999996 g/mol | RDKit | |
| 310.04400884800003 g/mol | RDKit | |
| Canonical SMILES | O1=C([CH-]C(=O[Rh+]1234[CH]=5CC[CH]4=[CH]3CC[CH]52)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12.C5H7O2.Rh/c1-2-4-6-8-7-5-3-1;1-4(6)3-5(2)7;/h1-2,7-8H,3-6H2;3H,1-2H3;/q;-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=ULVMWGPNSJNVMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [(1,2,5,6-η)-1,5-Cyclooctadiene](2,4-pentanedionato-κO2,κO4)rhodium | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.038990000000002 | RDKit |
| Molar Refractivity | 62.41000000000004 | RDKit |
