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278603-80-8 molecular structure
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1-ethenyl-1-(2-methoxyethoxy)cyclopropane

ChemBase ID: 141272
Molecular Formular: C8H14O2
Molecular Mass: 142.19556
Monoisotopic Mass: 142.09937969
SMILES and InChIs

SMILES:
COCCOC1(CC1)C=C
Canonical SMILES:
COCCOC1(C=C)CC1
InChI:
InChI=1S/C8H14O2/c1-3-8(4-5-8)10-7-6-9-2/h3H,1,4-7H2,2H3
InChIKey:
YIUPAIQJWAOJKD-UHFFFAOYSA-N

Cite this record

CBID:141272 http://www.chembase.cn/molecule-141272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethenyl-1-(2-methoxyethoxy)cyclopropane
IUPAC Traditional name
1-ethenyl-1-(2-methoxyethoxy)cyclopropane
Synonyms
1-Ethenyl-1-(2-methoxyethoxy)cyclopropane
1-(2-Methoxyethoxy)-1-vinylcyclopropane
1-乙烯基-1-(2-甲氧基乙氧基)环丙烷
1-(2-甲氧基乙氧基)-1-乙烯基环丙烷
CAS Number
278603-80-8
MDL Number
MFCD08276975
PubChem SID
162235507
PubChem CID
11309570

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
666246 external link Add to cart Please log in.
Data Source Data ID
PubChem 11309570 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.198157  LogD (pH = 7.4) 1.198157 
Log P 1.198157  Molar Refractivity 40.3195 cm3
Polarizability 15.877909 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
114.8 °F expand Show data source
46 °C expand Show data source
Density
0.922 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.441 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
10-22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 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
Storage Temperature
2-8°C expand Show data source
Empirical Formula (Hill Notation)
C8H14O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 666246 external link
Application
A useful scaffold for the preparation of 7-membered and bicyclic ring systems.6,7
Capable of participating in a variety of rhodium-catalyzed cycloaddition reactions.6,7,2
Reactant for:
• Rhodium-catalyzed [5+2] cycloaddition with alkynes1 and allenes2
• Cycloaddition/Nazarov cyclization sequence reactions3
• Preparation of cyclohexenones by cocyclization with carbon monoxide catalyzed by octacarbonyldicobalt4
• Preparation of cyclopentenes by nickel-catalyzed isomerization5
Packaging
1 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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