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68469-60-3 molecular structure
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(4-methoxyphenyl)dimethylprop-2-en-1-ylsilane

ChemBase ID: 145824
Molecular Formular: C12H18OSi
Molecular Mass: 206.35622
Monoisotopic Mass: 206.11269173
SMILES and InChIs

SMILES:
COc1ccc(cc1)[Si](C)(C)CC=C
Canonical SMILES:
COc1ccc(cc1)[Si](CC=C)(C)C
InChI:
InChI=1S/C12H18OSi/c1-5-10-14(3,4)12-8-6-11(13-2)7-9-12/h5-9H,1,10H2,2-4H3
InChIKey:
BEKRXBQZYQZFBV-UHFFFAOYSA-N

Cite this record

CBID:145824 http://www.chembase.cn/molecule-145824.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-methoxyphenyl)dimethylprop-2-en-1-ylsilane
IUPAC Traditional name
(4-methoxyphenyl)dimethylprop-2-en-1-ylsilane
Synonyms
Allyldimethyl(4-methoxyphenyl)silane
Allyl(4-methoxyphenyl)dimethylsilane
烯丙基二甲基(4-甲氧基苯基)硅烷
烯丙基(4-甲氧基苯基)二甲基硅烷
CAS Number
68469-60-3
MDL Number
MFCD01862880
Beilstein Number
2830799
PubChem SID
24873417
162240026
PubChem CID
5067178

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
511048 external link Add to cart Please log in.
Data Source Data ID
PubChem 5067178 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0116  LogD (pH = 7.4) 4.0116 
Log P 4.0116  Molar Refractivity 57.7967 cm3
Polarizability 24.770647 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
253 °C(lit.) expand Show data source
Flash Point
101 °C expand Show data source
213.8 °F expand Show data source
Density
0.935 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.519(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 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
98% expand Show data source
Linear Formula
CH3OC6H4Si(CH3)2CH2CH=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 511048 external link
Packaging
1, 5 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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