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Di-tert-butyl Ether

CAT: 0572-TRC-D427235-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D427235-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6163-66-2
Hazard Statement
Highly flammable liquid and vapour; UN number: UN3271; Packing Group: II
Smiles
CC(C)(C)OC(C)(C)C
Molecular Formula
C8H18O
Molecular Weight
130.23
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

Di-tert-butyl ether
CAS Number6163-66-2
PubChem CID22541
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
CC(C)(C)OC(C)(C)C
InChI
InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3
InChIKey
AQEFLFZSWDEAIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-tert-butyl ether
CAS: 6163-66-2
CID: 22541
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.7
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

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AR-B02339-01Di-tert-butyl Ether
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sc-236987ATert-Butyl methyl ether
sc-504468Tert-Butyl Isopropyl Ether
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