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1-Butoxy-2-methylbutane

CAT: 0572-TRC-B789920-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B789920-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62238-03-3
Hazard Statement
No Data Available
Smiles
CCCCOCC(C)CC
Molecular Formula
C9 H20 O
Molecular Weight
144.255
InChI
InChI=1S/C9H20O/c1-4-6-7-10-8-9(3)5-2/h9H,4-8H2,1-3H3
Additionnal Information
IUPAC name: 1-butoxy-2-methylbutane
Shipping Conditions
Room Temperature

Chemical Information

1-Butoxy-2-methylbutane
CAS Number62238-03-3
PubChem CID545254
IUPAC Name1-butoxy-2-methylbutane
Molecular FormulaC9H20O
Molecular Weight144.25
XLogP3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity61
SMILES
CCCCOCC(C)CC
InChI
InChI=1S/C9H20O/c1-4-6-7-10-8-9(3)5-2/h9H,4-8H2,1-3H3
InChIKey
ZDKMWZZHCGSIRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Butoxy-2-methylbutane
CAS: 62238-03-3
CID: 545254
Formula: C9H20O
MW: 144.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.25
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass144.151415257
Monoisotopic Mass144.151415257
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity61.7
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

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