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136459-72-8 molecular structure
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trimethyl[4-(2-phenylethynyl)phenyl]silane

ChemBase ID: 296165
Molecular Formular: C17H18Si
Molecular Mass: 250.41032
Monoisotopic Mass: 250.11777711
SMILES and InChIs

SMILES:
C[Si](C)(C)c1ccc(cc1)C#Cc1ccccc1
Canonical SMILES:
C[Si](c1ccc(cc1)C#Cc1ccccc1)(C)C
InChI:
InChI=1S/C17H18Si/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
InChIKey:
UZRJWRFLYPENFH-UHFFFAOYSA-N

Cite this record

CBID:296165 http://www.chembase.cn/molecule-296165.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl[4-(2-phenylethynyl)phenyl]silane
IUPAC Traditional name
trimethyl[4-(2-phenylethynyl)phenyl]silane
Synonyms
1-(2-Phenylethynyl)-4-(trimethylsilyl)benzene
Trimethyl[4-(phenylethynyl)phenyl]silane
4-(Trimethylsilyl)diphenylacetylene
4-(三甲硅基)二苯乙炔
CAS Number
136459-72-8
MDL Number
MFCD09953470
PubChem SID
180681696
PubChem CID
21093331

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 21093331 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.6182  LogD (pH = 7.4) 5.6182 
Log P 5.6182  Molar Refractivity 69.9582 cm3
Polarizability 31.038752 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
37-39°C expand Show data source
TSCA Listed
expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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