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Isobutyl Vinyl Ether

CAT: 0024-sc-489742Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-489742Size:25 mL
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CAS Number
109-53-5

Chemical Information

Vinyl isobutyl ether

Vinyl isobutyl ether appears as a clear colorless liquid. May polymerize if contaminated or subjected to heat. If polymerization take place inside a container, the container may violently rupture. Vapors are heavier than air.

CAS Number109-53-5
PubChem CID7992
IUPAC Name1-ethenoxy-2-methylpropane
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP2.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity48
SMILES
CC(C)COC=C
InChI
InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey
OZCMOJQQLBXBKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vinyl isobutyl ether
CAS: 109-53-5
CID: 7992
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity48.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes