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67859-75-0 molecular structure
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diethoxy(methyl)octadecylsilane

ChemBase ID: 137683
Molecular Formular: C23H50O2Si
Molecular Mass: 386.7274
Monoisotopic Mass: 386.35800737
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC[Si](C)(OCC)OCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)C
InChI:
InChI=1S/C23H50O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4,24-6-2)25-7-3/h5-23H2,1-4H3
InChIKey:
DJVQMRRXRRBRIH-UHFFFAOYSA-N

Cite this record

CBID:137683 http://www.chembase.cn/molecule-137683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethoxy(methyl)octadecylsilane
IUPAC Traditional name
diethoxy(methyl)octadecylsilane
Synonyms
Diethoxymethyloctadecylsilane
二乙氧基甲基十八烷基硅烷
CAS Number
67859-75-0
EC Number
267-423-2
MDL Number
MFCD00026674
PubChem SID
162231945
24868725
PubChem CID
105838

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
452793 external link Add to cart Please log in.
Data Source Data ID
PubChem 105838 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.809  LogD (pH = 7.4) 7.809 
Log P 7.809  Molar Refractivity 113.687 cm3
Polarizability 47.435493 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds 21  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Boiling Point
197 °C/2 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.849 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.444(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 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
Linear Formula
CH3(CH2)17Si(OC2H5)2CH3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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