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Danishefsky'S Diene
CAS: 54125-02-9 | C8H16O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54125-02-9
Molecular Formula:
C8H16O2Si
Molecular Mass:
172.30 g/mol
Names and Synonyms:
Danishefsky'S Diene
Silane, [[(2E)-3-methoxy-1-methylene-2-propen-1-yl]oxy]trimethyl-
Silane, [(3-methoxy-1-methylene-2-propenyl)oxy]trimethyl-, (E)-
Silane, [[(2E)-3-methoxy-1-methylene-2-propenyl]oxy]trimethyl-
[[(2E)-3-Methoxy-1-methylene-2-propen-1-yl]oxy]trimethylsilane
trans-1-Methoxy-3-(trimethylsiloxy)-1,3-butadiene
(E)-1-Methoxy-3-(trimethylsilyloxy)-1,3-butadiene
trans-1-Methoxy-3-[(trimethylsilyl)oxy]-1,3-butadiene
(E)-(3-Methoxy-1-methylene-2-propenyloxy)trimethylsilane
Danishefsky-Kitahara diene
(E)-((3-Methoxy-1-(methylene)allyl)oxy)trimethylsilane
(E)-1-Methoxy-3-trimethylsiloxy-1,3-butadiene
[[(2E)-3-Methoxy-1-methylene-2-propenyl]oxy]trimethylsilane
E-1-Methoxy-3-[(trimethylsilyl)oxy]buta-1,3-diene
[((2E)-3-Methoxy-1-methyleneprop-2-en-1-yl)oxy]trimethylsilane
(E)-(4-Methoxybuta-1,3-dien-2-yloxy)trimethylsilane
(E)-(4-Methoxybuta-1,3-dien-2-yloxy)trimethylsilane
[[(3E)-4-Methoxybuta-1,3-dien-2-yl]oxy](trimethyl)silane
Identifiers:
SMILES:
C=C(/C=C/OC)O[Si](C)(C)C
InChI:
InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+
Key Properties
Boiling Point
68-69 °C @ Press: 14 Torr
CAS Common Chemistry
Density
0.89 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 | 172.30 g/mol | CAS Common Chemistry |
| 172.29999999999998 g/mol | RDKit | |
| 172.091956282 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 |
| Boiling Point | 68-69 °C @ Press: 14 Torr | 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 |
| Molar Refractivity | 49.720000000000034 | RDKit |
