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302912-32-9 molecular structure
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(2-ethylcyclopenta-2,4-dien-1-yl)trimethylsilane

ChemBase ID: 138774
Molecular Formular: C10H18Si
Molecular Mass: 166.33542
Monoisotopic Mass: 166.11777711
SMILES and InChIs

SMILES:
CCC1=CC=CC1[Si](C)(C)C
Canonical SMILES:
CCC1=CC=CC1[Si](C)(C)C
InChI:
InChI=1S/C10H18Si/c1-5-9-7-6-8-10(9)11(2,3)4/h6-8,10H,5H2,1-4H3
InChIKey:
URFZNXSMXZWHQE-UHFFFAOYSA-N

Cite this record

CBID:138774 http://www.chembase.cn/molecule-138774.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-ethylcyclopenta-2,4-dien-1-yl)trimethylsilane
IUPAC Traditional name
(2-ethylcyclopenta-2,4-dien-1-yl)trimethylsilane
Synonyms
1-Ethyl-5-(trimethylsilyl)-1,3-cyclopentadiene
1-乙基-5-(三甲基硅基)-1,3-环戊二烯
CAS Number
302912-32-9
MDL Number
MFCD01863733
PubChem SID
162233025
PubChem CID
4441236

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
515795 external link Add to cart Please log in.
Data Source Data ID
PubChem 4441236 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.93795  H Acceptors
H Donor LogD (pH = 5.5) 3.5643 
LogD (pH = 7.4) 3.5643  Log P 3.5643 
Molar Refractivity 49.5162 cm3 Polarizability 20.912067 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
181 °C(lit.) expand Show data source
Flash Point
125.6 °F expand Show data source
52 °C expand Show data source
Density
0.828 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.468(lit.) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10 expand Show data source
Safety Statements
16 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Empirical Formula (Hill Notation)
C10H18Si expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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