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2- (tert-Butoxy) butane

CAT: 1596-AR-B02337-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B02337-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32970-45-9
Synonyms
2- (tert-butoxy) butane; 2-Butyl tert-butyl Ether; sec-Butyl tert-butyl Ether; tert-Butyl sec-butyl Ether
Molecular Formula
C8H18O
Molecular Weight
130.23
API Name
Butanol

Chemical Information

2-(1,1-Dimethylethoxy)butane
CAS Number32970-45-9
PubChem CID36292
IUPAC Name2-[(2-methylpropan-2-yl)oxy]butane
Molecular FormulaC8H18O
Molecular Weight130.23
XLogP2.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity71
SMILES
CCC(C)OC(C)(C)C
InChI
InChI=1S/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3
InChIKey
WMZNUJPPIPVIOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1,1-Dimethylethoxy)butane
CAS: 32970-45-9
CID: 36292
Formula: C8H18O
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity71.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes