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155684-30-3 molecular structure
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trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane

ChemBase ID: 112512
Molecular Formular: C11H22O4Si
Molecular Mass: 246.37548
Monoisotopic Mass: 246.12873572
SMILES and InChIs

SMILES:
CO[Si](CCC1CCC2OC2C1)(OC)OC
Canonical SMILES:
CO[Si](CCC1CCC2C(C1)O2)(OC)OC
InChI:
InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
InChIKey:
DQZNLOXENNXVAD-UHFFFAOYSA-N

Cite this record

CBID:112512 http://www.chembase.cn/molecule-112512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane
IUPAC Traditional name
trimethoxy(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)silane
Synonyms
β-(3,4-EPOXYCYCLOHEXYL)-ETHYLTRIMETHOXYSILANE
[2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
2-(7-Oxabicyclo[4.1.0]hept-3-yl)ethyl-trimethoxysilane
3-(2-Trimethoxysilylethyl)cyclohexene oxide
[2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane
(2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl)trimethoxysilane
2-(3,4-环氧环己烷)乙基三甲氧基硅烷
2-(3,4-环氧环己烷)乙基三甲氧基硅烷
2-(7-氧杂二环[4.1.0]庚-3-基)乙基-三甲氧基硅烷
3-(2-三甲氧基硅基乙基)氧化环己烯
三甲氧基[2-(7-氧杂二环[4.1.0]庚-3-基)乙基]硅烷
CAS Number
155684-30-3
3388-04-3
EC Number
222-217-1
MDL Number
MFCD00014485
Beilstein Number
8980119
PubChem SID
24865857
24868821
162098194
PubChem CID
18819

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.541  LogD (pH = 7.4) 1.541 
Log P 1.541  Molar Refractivity 56.5337 cm3
Polarizability 25.286945 Å3 Polar Surface Area 40.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Boiling Point
310 °C(lit.) expand Show data source
Flash Point
146 °C expand Show data source
294.8 °F expand Show data source
Density
1.065 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.451 expand Show data source
n20/D 1.451(lit.) expand Show data source
RTECS
VV4000000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) 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
Risk Statements
45-46 expand Show data source
Safety Statements
53-23-36/37/39-45 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H350 expand Show data source
GHS Precautionary statements
P201-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C11H22O4Si expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05224487 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 413321 external link
Packaging
25 mL in poly bottle
Features and Benefits
Ring epoxide more reactive than glycidoxypropyl systems.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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