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1-Hexyn-1-Yltrimethylsilane
CAS: 3844-94-8 | C9H18Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3844-94-8
Molecular Formula:
C9H18Si
Molecular Weight:
154.32899999999998 g/mol
Names and Synonyms:
1-Hexyn-1-Yltrimethylsilane
Silane, 1-hexyn-1-yltrimethyl-
Silane, 1-hexynyltrimethyl-
1-Hexyn-1-yltrimethylsilane
1-(Trimethylsilyl)-1-hexyne
Butyl(trimethylsilyl)acetylene
1-(Trimethylsilyl)-2-butylacetylene
1-Hexynyltrimethylsilane
1-Butyl-2-trimethylsilylacetylene
Identifiers:
SMILES:
CCCCC#C[Si](C)(C)C
InChI:
InChI=1S/C9H18Si/c1-5-6-7-8-9-10(2,3)4/h5-7H2,1-4H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.32899999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.117777106 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 3.0574000000000012 | RDKit |
| molecular_mass | 154.33 g/mol | Legacy Database | |
| density | 0.77 g/cm³ | Legacy Database | |
| cas-boiling-point | 155 °C | Legacy Database | |
| cas-canonical-smile | C(#C[Si](C)(C)C)CCCC | Legacy Database | |
| cas-density | 0.770 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C9H18Si/c1-5-6-7-8-9-10(2,3)4/h5-7H2,1-4H3 | Legacy Database | |
| cas-inchi-key | InChIKey=SFCRJYVNDZSYCT-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 1-Hexyn-1-yltrimethylsilane | Legacy Database | |
| Molar | Molar Refractivity | 50.64700000000004 | RDKit |
