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Tetrabutylgermane
CAS: 1067-42-1 | C16H36Ge
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1067-42-1
Molecular Formula:
C16H36Ge
Molecular Mass:
301.07 g/mol
Names and Synonyms:
Tetrabutylgermane
Germane, tetrabutyl-
Tetrabutylgermane
Tetrabutylgermanium
Tetra-n-butylgermane
NSC 65798
Identifiers:
SMILES:
CCCC[Ge](CCCC)(CCCC)CCCC
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
Key Properties
Boiling Point
274 °C
CAS Common Chemistry
Density
0.93 g/cm³
CAS Common Chemistry
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 | 301.07 g/mol | CAS Common Chemistry |
| 301.074 g/mol | RDKit | |
| 302.202878952 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 84.61400000000008 | RDKit |
