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Molecule
Danishefsky'S Diene
CAS: 54125-02-9 · C8H16O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54125-02-9
- Molecular Formula
- C8H16O2Si
- Molecular Mass
- 172.30 g/mol
Identifiers
CAS Registry Number
54125-02-9
SMILES
C=C(/C=C/OC)O[Si](C)(C)C
InChI Key
SHALBPKEGDBVKK-VOTSOKGWSA-N
InChI
InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+
Names and Synonyms
- Danishefsky'S Diene Common Name
- Silane, [[(2E)-3-methoxy-1-methylene-2-propen-1-yl]oxy]trimethyl- Synonym
- Silane, [(3-methoxy-1-methylene-2-propenyl)oxy]trimethyl-, (E)- Synonym
- Silane, [[(2E)-3-methoxy-1-methylene-2-propenyl]oxy]trimethyl- Synonym
- [[(2E)-3-Methoxy-1-methylene-2-propen-1-yl]oxy]trimethylsilane Synonym
- trans-1-Methoxy-3-(trimethylsiloxy)-1,3-butadiene Synonym
- (E)-1-Methoxy-3-(trimethylsilyloxy)-1,3-butadiene Synonym
- trans-1-Methoxy-3-[(trimethylsilyl)oxy]-1,3-butadiene Synonym
- (E)-(3-Methoxy-1-methylene-2-propenyloxy)trimethylsilane Synonym
- Danishefsky-Kitahara diene Synonym
- (E)-((3-Methoxy-1-(methylene)allyl)oxy)trimethylsilane Synonym
- (E)-1-Methoxy-3-trimethylsiloxy-1,3-butadiene Synonym
- [[(2E)-3-Methoxy-1-methylene-2-propenyl]oxy]trimethylsilane Synonym
- E-1-Methoxy-3-[(trimethylsilyl)oxy]buta-1,3-diene Synonym
- [((2E)-3-Methoxy-1-methyleneprop-2-en-1-yl)oxy]trimethylsilane Synonym
- (E)-(4-Methoxybuta-1,3-dien-2-yloxy)trimethylsilane Synonym
- (E)-(4-Methoxybuta-1,3-dien-2-yloxy)trimethylsilane Synonym
- [[(3E)-4-Methoxybuta-1,3-dien-2-yl]oxy](trimethyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.30 g/mol | CAS Common Chemistry |
| 172.29999999999998 g/mol | RDKit | |
| 172.3 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.885 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Danishefsky%27s_diene | CAS Common Chemistry |
| Canonical SMILES | O(C=CC(O[Si](C)(C)C)=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=SHALBPKEGDBVKK-VOTSOKGWSA-N | CAS Common Chemistry |
| Name | [[(2E)-3-Methoxy-1-methylene-2-propen-1-yl]oxy]trimethylsilane | CAS Common Chemistry |
| Danishefsky's diene | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.5117000000000003 | RDKit |
| 2.5117 | RDKit | |
| 2.32 | chempirical lib | |
| Molar Refractivity | 49.720000000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 172.091956282 g/mol | RDKit |
| Boiling Point | 68-69 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
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 = 172.30 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O2Si.
