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853955-69-8 molecular structure
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{2-[dimethyl(phenyl)silyl]phenyl}methanol

ChemBase ID: 297779
Molecular Formular: C15H18OSi
Molecular Mass: 242.38832
Monoisotopic Mass: 242.11269173
SMILES and InChIs

SMILES:
C[Si](C)(c1ccccc1)c1ccccc1CO
Canonical SMILES:
OCc1ccccc1[Si](c1ccccc1)(C)C
InChI:
InChI=1S/C15H18OSi/c1-17(2,14-9-4-3-5-10-14)15-11-7-6-8-13(15)12-16/h3-11,16H,12H2,1-2H3
InChIKey:
GEEGNBYRNRXTOT-UHFFFAOYSA-N

Cite this record

CBID:297779 http://www.chembase.cn/molecule-297779.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{2-[dimethyl(phenyl)silyl]phenyl}methanol
IUPAC Traditional name
{2-[dimethyl(phenyl)silyl]phenyl}methanol
Synonyms
2-(Dimethylphenylsilyl)benzyl alcohol
2-(二甲基苯基硅烷基)苄醇
CAS Number
853955-69-8
MDL Number
MFCD11870725
PubChem SID
180683310
PubChem CID
11989421

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 11989421 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.01316  H Acceptors
H Donor LogD (pH = 5.5) 4.1551 
LogD (pH = 7.4) 4.1551  Log P 4.1551 
Molar Refractivity 68.8627 cm3 Polarizability 29.035423 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety 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 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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