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1,4-Diethoxybutane

CAT: 0024-sc-265071Size: 5 gDry Ice: NoHazardous: No
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CAS Number
13344-00-8

Chemical Information

1,4-Diethoxybutane

diesel fuel additive

CAS Number13344-00-8
PubChem CID232578
IUPAC Name1,4-diethoxybutane
Molecular FormulaC8H18O2
Molecular Weight146.23
XLogP1.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity47
SMILES
CCOCCCCOCC
InChI
InChI=1S/C8H18O2/c1-3-9-7-5-6-8-10-4-2/h3-8H2,1-2H3
InChIKey
IIHAWQOFHTYWGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Diethoxybutane
CAS: 13344-00-8
CID: 232578
Formula: C8H18O2
MW: 146.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.23
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass146.130679813
Monoisotopic Mass146.130679813
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity47.2
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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Alternative Products

CatalogName
NAA344001,4-Diethoxybutane
D192501 4-Diethoxybutane 95%
D192421,1-Diethoxybutane 97%
HY-W551703S1,1-Diethoxybutane-d10
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OR81165-01[1,1':4',1'':4'',1'''-quaterphenyl]-4,4'''-dicarbaldehyde
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OR76183-01[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-diamine
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