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Home Other Building Blocks 2-Methyl-2-vinyloxirane

2-Methyl-2-vinyloxirane

CAS No.:
1838-94-4
Catalog Number:
AG003R4E
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$57
- +
5g
95%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG003R4E
Chemical Name:
2-Methyl-2-vinyloxirane
CAS Number:
1838-94-4
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00075225
IUPAC Name:
2-ethenyl-2-methyloxirane
InChI:
InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3
InChI Key:
FVCDMHWSPLRYAB-UHFFFAOYSA-N
SMILES:
CC1(CO1)C=C
NSC Number:
48598
Properties
Complexity:
78  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Identification and characterization of 2'-deoxyadenosine adducts formed by isoprene monoepoxides in vitro. Chemical research in toxicology 20110718
DNA-damaging ability of isoprene and isoprene mono-epoxide (EPOX I) in human cells evaluated with the comet assay. Mutation research 20070420
Hemoglobin adducts and micronuclei in rodents after treatment with isoprene monoxide or butadiene monoxide. Mutation research 20050801
Direct vinylogous Mannich-type reactions via ring opening and rearrangement of vinyloxiranes. Organic letters 20040205
Stereochemical and kinetic comparisons of mono- and diepoxide formation in the in vitro metabolism of isoprene by liver microsomes from rats, mice, and humans. Chemical research in toxicology 20030701
Prediction of isoprene diepoxide levels in vivo in mouse, rat and man using enzyme kinetic data in vitro and physiologically-based pharmacokinetic modelling. Chemico-biological interactions 20011221
Metabolism and molecular toxicology of isoprene. Chemico-biological interactions 20010601
Properties