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130650-09-8 molecular structure
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tert-butyl(3,4-dihydro-2H-pyran-6-yloxy)dimethylsilane

ChemBase ID: 148791
Molecular Formular: C11H22O2Si
Molecular Mass: 214.37668
Monoisotopic Mass: 214.13890648
SMILES and InChIs

SMILES:
CC(C)(C)[Si](C)(C)OC1=CCCCO1
Canonical SMILES:
C[Si](C(C)(C)C)(OC1=CCCCO1)C
InChI:
InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9-12-10/h8H,6-7,9H2,1-5H3
InChIKey:
RBKFRODDAPGVLP-UHFFFAOYSA-N

Cite this record

CBID:148791 http://www.chembase.cn/molecule-148791.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl(3,4-dihydro-2H-pyran-6-yloxy)dimethylsilane
IUPAC Traditional name
tert-butyl(5,6-dihydro-4H-pyran-2-yloxy)dimethylsilane
Synonyms
6-(tert-Butyldimethylsilyloxy)-3,4-dihydro-2H-pyran
6-(叔丁基二甲基硅氧基)-3,4-二氢-2H-吡喃
CAS Number
130650-09-8
MDL Number
MFCD00134551
PubChem SID
24863835
162242965
PubChem CID
5173262

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
381748 external link Add to cart Please log in.
Data Source Data ID
PubChem 5173262 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2873  LogD (pH = 7.4) 3.2873 
Log P 3.2873  Molar Refractivity 66.3742 cm3
Polarizability 24.334764 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
125-131 °C/28 mmHg(lit.) expand Show data source
Flash Point
177.8 °F expand Show data source
81 °C expand Show data source
Density
0.935 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.455(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C11H22O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 381748 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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