Back to Search
Molecule
[(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
Identifiers
CAS Registry Number
12245-39-5
SMILES
C1=CCCC=CCC1.CC(=O)[CH-]C(C)=O.[Rh+]
InChI Key
ULVMWGPNSJNVMV-UHFFFAOYSA-N
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
Names and Synonyms
- [(1,2,5,6-Η)-1,5-Cyclooctadiene](2,4-Pentanedionato-Κo2,Κo4)Rhodium Synonym
- Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](2,4-pentanedionato-κO2,κO4)- Synonym
- Rhodium, (1,5-cyclooctadiene)(2,4-pentanedionato)- Synonym
- Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](2,4-pentanedionato-O,O′)- Synonym
- Rhodium, (2,4-pentanedionato)(1,5-cyclooctadiene)- Synonym
- Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](2,4-pentanedionato-κO,κO′)- Synonym
- 1,5-Cyclooctadiene, rhodium complex Synonym
- [(1,2,5,6-η)-1,5-Cyclooctadiene](2,4-pentanedionato-κO2,κO4)rhodium Synonym
- (1,5-Cyclooctadiene)(acetylacetonate)rhodium Synonym
- Acetylacetonate(1,5-cyclooctadiene)rhodium Synonym
- (Acetylacetonato)(cyclooctadiene)rhodium Synonym
- (Acetylacetonato)(1,5-cyclooctadiene)rhodium Synonym
- Rhodium 1,5-cyclooctadiene(2,4-pentanedionate) Synonym
- (1,5-Cyclooctadiene)rhodium acetylacetonate Synonym
- (1,5-Cyclooctadiene)(2,4-pentadionato)rhodium(I) Synonym
- NSC 240030 Synonym
- Acetylacetonate(cyclooctadiene)rhodium Synonym
- (1,5-Cyclooctadiene)(acetylacetonato)rhodium(I) Synonym
- (Acetylacetonato)(η4-1,5-cyclooctadiene)rhodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.20 g/mol | CAS Common Chemistry |
| 310.19899999999996 g/mol | RDKit | |
| 310.199 g/mol | RDKit | |
| 314.231 g/mol | chempirical lib | |
| 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 |
| 3.039 | RDKit | |
| Molar Refractivity | 62.41000000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| Exact Mass | 310.04400884800003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 310.20 g/mol. Edit any field — others recompute live.
