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Molecule
Tris(Η5-2,4-Cyclopentadien-1-Yl)Ytterbium
CAS: 1295-20-1 · C15H15Yb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1295-20-1
- Molecular Formula
- C15H15Yb
- Molecular Mass
- 368.33 g/mol
Identifiers
CAS Registry Number
1295-20-1
SMILES
[Yb+3].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChI Key
JCWMQECJDTYOET-UHFFFAOYSA-N
InChI
InChI=1S/3C5H5.Yb/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
Names and Synonyms
- Tris(Η5-2,4-Cyclopentadien-1-Yl)Ytterbium Synonym
- Ytterbium, tris(η5-2,4-cyclopentadien-1-yl)- Synonym
- Ytterbium, tri-π-cyclopentadienyl- Synonym
- Ytterbium, tricyclopentadienyl- Synonym
- Tris(η5-2,4-cyclopentadien-1-yl)ytterbium Synonym
- Tricyclopentadienylytterbium Synonym
- Tris(cyclopentadienyl)ytterbium Synonym
- Tris(η5-cyclopentadienyl)ytterbium Synonym
- Tris(η5-cyclopentadienyl)ytterbium(III) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.33 g/mol | CAS Common Chemistry |
| 368.32500000000005 g/mol | RDKit | |
| 369.05623758 g/mol | RDKit | |
| 376.394 g/mol | chempirical lib | |
| Canonical SMILES | [CH]=12[CH]3=[CH]4[CH-]5[CH]1[Yb+3]236789%10%11%12%1345([CH]=%14[CH]9=[CH]8[CH-]7[CH]%146)[CH]=%15[CH]%13=[CH]%12[CH-]%11[CH]%15%10 | CAS Common Chemistry |
| InChI | InChI=1S/3C5H5.Yb/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3 | CAS Common Chemistry |
| InChI Key | InChIKey=JCWMQECJDTYOET-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 267-270 °C | CAS Common Chemistry |
| Name | Tris(η5-2,4-cyclopentadien-1-yl)ytterbium | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.216500000000003 | RDKit |
| 4.2165 | RDKit | |
| 4.32 | chempirical lib | |
| Molar Refractivity | 66.10500000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 368.325 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 368.33 g/mol. Edit any field — others recompute live.
