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6651-36-1 molecular structure
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(cyclohex-1-en-1-yloxy)trimethylsilane

ChemBase ID: 54689
Molecular Formular: C9H18OSi
Molecular Mass: 170.32412
Monoisotopic Mass: 170.11269173
SMILES and InChIs

SMILES:
C1(=CCCCC1)O[Si](C)(C)C
Canonical SMILES:
C[Si](OC1=CCCCC1)(C)C
InChI:
InChI=1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKey:
SBEMOANGDSSPJY-UHFFFAOYSA-N

Cite this record

CBID:54689 http://www.chembase.cn/molecule-54689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(cyclohex-1-en-1-yloxy)trimethylsilane
IUPAC Traditional name
(cyclohex-1-en-1-yloxy)trimethylsilane
Synonyms
1-Cyclohexenyloxytrimethylsilane
Cyclohexanone enol trimethylsilyl ether
1-(Trimethylsiloxy)cyclohexene
1-(Trimethylsilyloxy)cyclohexene
1-(Trimethylsiloxy)cyclohexene
1-环己烯氧基三甲基硅烷
1-(三甲基硅氧基)环己烯
1-(三甲基硅氧烷)环己烯
CAS Number
6651-36-1
EC Number
229-675-1
MDL Number
MFCD00001541
Beilstein Number
1859394
PubChem SID
24889700
24848686
162059452
PubChem CID
81161

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4375  LogD (pH = 7.4) 2.4375 
Log P 2.4375  Molar Refractivity 46.8948 cm3
Polarizability 19.962593 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
165°C expand Show data source
64-65 °C/15 mmHg(lit.) expand Show data source
64-65°C/15mm expand Show data source
Flash Point
105.8 °F expand Show data source
41 °C expand Show data source
42°C expand Show data source
42°C(107°F) expand Show data source
Density
0.875 expand Show data source
0.875 g/mL at 25 °C(lit.) expand Show data source
0.883 expand Show data source
Refractive Index
1.447 expand Show data source
1.4470 expand Show data source
n20/D 1.447 expand Show data source
n20/D 1.447(lit.) expand Show data source
Storage Warning
Flammable/Keep Cold/Moisture Sensitive expand Show data source
IRRITANT expand Show data source
Moisture Sensitive expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
H226-H303 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
C6H9OSi(CH3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 144819 external link
Application
Intermediate to many complex compounds including natural products.
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 92735 external link
Other Notes
Review1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Silyl enol ethers undergo crossed aldol condensations with aldehydes and ketones: J. Am. Chem. Soc., 96, 7503 (1974); for tabulated results, see: Org. Synth. Coll., 8, 323 (1993):
  • • For reviews of the chemistry of silyl enol ethers, see: Synthesis, 91 (1977); 85 (1983).
  • • Condensation with aldehydes is also promoted by F-, particularly TBAF: J. Org. Chem., 48, 932 (1983).
  • • The Lewis acid-catalyzed condensation with nitroalkenes leads to 1,4-diketones: J. Am. Chem. Soc., 98, 4679 (1976); Org. Synth. Coll, 7, 414 (1990).
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PATENTS

PATENTS

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INTERNET

INTERNET

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