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78018-53-8 molecular structure
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trimethyl(3-methyl-4-[(trimethylsilyl)oxy]phenoxy)silane

ChemBase ID: 295787
Molecular Formular: C13H24O2Si2
Molecular Mass: 268.49946
Monoisotopic Mass: 268.13148307
SMILES and InChIs

SMILES:
Cc1cc(ccc1O[Si](C)(C)C)O[Si](C)(C)C
Canonical SMILES:
Cc1cc(ccc1O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C13H24O2Si2/c1-11-10-12(14-16(2,3)4)8-9-13(11)15-17(5,6)7/h8-10H,1-7H3
InChIKey:
IPYOHMJSEPFQSQ-UHFFFAOYSA-N

Cite this record

CBID:295787 http://www.chembase.cn/molecule-295787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl(3-methyl-4-[(trimethylsilyl)oxy]phenoxy)silane
IUPAC Traditional name
trimethyl(3-methyl-4-[(trimethylsilyl)oxy]phenoxy)silane
Synonyms
2,5-Bis(trimethylsiloxy)toluene
2-Methyl-1,4-bis(trimethylsiloxy)benzene
2-甲基-1,4-双(三甲基硅氧基)苯
CAS Number
78018-53-8
MDL Number
MFCD02683083
PubChem SID
180681318
PubChem CID
12691803

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 12691803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.924  LogD (pH = 7.4) 4.924 
Log P 4.924  Molar Refractivity 67.3128 cm3
Polarizability 30.362114 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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