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Tert-Amyl Ethyl Ether

CAT: 0024-sc-472405Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-472405Size:5 g
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CAS Number
919-94-8

Chemical Information

Butane, 2-ethoxy-2-methyl-
CAS Number919-94-8
PubChem CID13527
IUPAC Name2-ethoxy-2-methylbutane
Molecular FormulaC7H16O
Molecular Weight116.20
XLogP2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity57
SMILES
CCC(C)(C)OCC
InChI
InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3
InChIKey
KFRVYYGHSPLXSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butane, 2-ethoxy-2-methyl-
CAS: 919-94-8
CID: 13527
Formula: C7H16O
MW: 116.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight116.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass116.120115130
Monoisotopic Mass116.120115130
Topological Polar Surface Area9.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity57.4
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