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41991-85-9 molecular structure
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[1,3-bis(trimethylsilyl)cyclopenta-2,4-dien-1-yl]trimethylsilane

ChemBase ID: 137662
Molecular Formular: C14H30Si3
Molecular Mass: 282.6445
Monoisotopic Mass: 282.16553056
SMILES and InChIs

SMILES:
C[Si](C)(C)C1=CC(C=C1)([Si](C)(C)C)[Si](C)(C)C
Canonical SMILES:
C[Si](C1=CC(C=C1)([Si](C)(C)C)[Si](C)(C)C)(C)C
InChI:
InChI=1S/C14H30Si3/c1-15(2,3)13-10-11-14(12-13,16(4,5)6)17(7,8)9/h10-12H,1-9H3
InChIKey:
IJYLKOZUPMQYFR-UHFFFAOYSA-N

Cite this record

CBID:137662 http://www.chembase.cn/molecule-137662.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1,3-bis(trimethylsilyl)cyclopenta-2,4-dien-1-yl]trimethylsilane
IUPAC Traditional name
[1,3-bis(trimethylsilyl)cyclopenta-2,4-dien-1-yl]trimethylsilane
Synonyms
2,5,5-Tris(trimethylsilyl)-1,3-cyclopentadiene
2,5,5-三(三甲基甲硅烷基)-1,3-环戊二烯
CAS Number
41991-85-9
MDL Number
MFCD00074913
PubChem SID
162231924
PubChem CID
4181619

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
330701 external link Add to cart Please log in.
Data Source Data ID
PubChem 4181619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.3679  LogD (pH = 7.4) 6.3679 
Log P 6.3679  Molar Refractivity 72.2074 cm3
Polarizability 34.125824 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)
Flash Point
195.8 °F expand Show data source
91 °C expand Show data source
Density
0.841 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.473(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
26-36/37/39 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
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C14H30Si3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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