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38170-80-8 molecular structure
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trimethyl(2-{3-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane

ChemBase ID: 302200
Molecular Formular: C16H22Si2
Molecular Mass: 270.51688
Monoisotopic Mass: 270.12600377
SMILES and InChIs

SMILES:
C[Si](C)(C)C#Cc1cccc(c1)C#C[Si](C)(C)C
Canonical SMILES:
C[Si](C#Cc1cccc(c1)C#C[Si](C)(C)C)(C)C
InChI:
InChI=1S/C16H22Si2/c1-17(2,3)12-10-15-8-7-9-16(14-15)11-13-18(4,5)6/h7-9,14H,1-6H3
InChIKey:
ASZOZZMGMNVKDV-UHFFFAOYSA-N

Cite this record

CBID:302200 http://www.chembase.cn/molecule-302200.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl(2-{3-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane
IUPAC Traditional name
trimethyl(2-{3-[2-(trimethylsilyl)ethynyl]phenyl}ethynyl)silane
Synonyms
1,3-Bis[(trimethylsilyl)ethynyl]benzene
1,3-双[(三甲基硅基)乙炔基 ]苯
CAS Number
38170-80-8
MDL Number
MFCD00078305
Beilstein Number
2845239

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.045  LogD (pH = 7.4) 6.045 
Log P 6.045  Molar Refractivity 66.5312 cm3
Polarizability 32.433098 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
57-59°C expand Show data source
TSCA Listed
expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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