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Trimethyl-1-Pentyn-1-Ylsilane
CAS: 18270-17-2 | C8H16Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18270-17-2
Molecular Formula:
C8H16Si
Molecular Mass:
140.30 g/mol
Names and Synonyms:
Trimethyl-1-Pentyn-1-Ylsilane
Silane, trimethyl-1-pentyn-1-yl-
Silane, trimethyl-1-pentynyl-
Trimethyl-1-pentyn-1-ylsilane
1-(Trimethylsilyl)-1-pentyne
Trimethyl-1-pentynylsilane
Propyl(trimethylsilyl)acetylene
Identifiers:
SMILES:
CCCC#C[Si](C)(C)C
InChI:
InChI=1S/C8H16Si/c1-5-6-7-8-9(2,3)4/h5-6H2,1-4H3
Key Properties
Boiling Point
133-134 °C
CAS Common Chemistry
Density
0.77 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 | 140.30 g/mol | CAS Common Chemistry |
| 140.302 g/mol | RDKit | |
| 140.102127042 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.765 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 133-134 °C | CAS Common Chemistry |
| Canonical SMILES | C(#C[Si](C)(C)C)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16Si/c1-5-6-7-8-9(2,3)4/h5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CABCDUQQPBAHEE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethyl-1-pentyn-1-ylsilane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.667300000000001 | RDKit |
| Molar Refractivity | 46.03000000000003 | RDKit |
