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Molecule
Tetrabutylgermane
CAS: 1067-42-1 · C16H36Ge
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1067-42-1
- Molecular Formula
- C16H36Ge
- Molecular Mass
- 301.074 g/mol
Identifiers
CAS Registry Number
1067-42-1
SMILES
CCCC[Ge](CCCC)(CCCC)CCCC
InChI Key
HDVLQIDIYKIVRE-UHFFFAOYSA-N
InChI
InChI=1S/C16H36Ge/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3
Names and Synonyms
- Tetrabutylgermane Synonym
- Germane, tetrabutyl- Synonym
- Tetrabutylgermane Synonym
- Tetrabutylgermanium Synonym
- Tetra-n-butylgermane Synonym
- NSC 65798 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.929 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 274 °C | CAS Common Chemistry |
| Canonical SMILES | CCCC[Ge](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H36Ge/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HDVLQIDIYKIVRE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrabutylgermane | CAS Common Chemistry |
| Molecular Mass | 301.074 g/mol | RDKit |
| 302.202878952 g/mol | RDKit | |
| 301.094 g/mol | chempirical lib | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.635600000000007 | RDKit |
| 6.6356 | RDKit | |
| 6.73 | chempirical lib | |
| Molar Refractivity | 84.61400000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 301.07 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 301.07 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.