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Molecule
Dibutyldichlorogermane
CAS: 4593-81-1 · C8H18Cl2Ge
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4593-81-1
- Molecular Formula
- C8H18Cl2Ge
- Molecular Mass
- 257.75 g/mol
Identifiers
CAS Registry Number
4593-81-1
SMILES
CCCC[Ge](Cl)(Cl)CCCC
InChI Key
VKMPTHGEGBKPBQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H18Cl2Ge/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
Names and Synonyms
- Dibutyldichlorogermane Common Name
- Germane, dibutyldichloro- Synonym
- Dibutylgermanium dichloride Synonym
- Dibutyldichlorogermane Synonym
- Dichlorodibutylgermane Synonym
- Di-n-butylgermanedichloride Synonym
- Dibutyldichlorogermanium Synonym
- NSC 166300 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.75 g/mol | CAS Common Chemistry |
| 257.999733736 g/mol | RDKit | |
| 257.748 g/mol | RDKit | |
| 257.762 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.208 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 242 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Ge](Cl)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18Cl2Ge/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VKMPTHGEGBKPBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dibutyldichlorogermane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.506400000000004 | RDKit |
| 4.5064 | RDKit | |
| 4.75 | chempirical lib | |
| Molar Refractivity | 56.89000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 257.74799999999993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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Quick conversion
MW = 257.75 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
