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Diethylene Glycol Monobutyl Ether

CAT: 1299-RG-A260473-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260473-01Size:10 mg
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CAS Number
112-34-5
Synonyms
Diethylene Glycol Monobutyl Ether
Molecular Formula
C8H18O3
Molecular Weight
162.227
Product Name Synonym
Diethylene Glycol Monobutyl Ether

Chemical Information

Diethylene Glycol Monobutyl Ether

Ethanol, 2-(2-butoxyethoxy)- is an ether.

CAS Number112-34-5
PubChem CID8177
IUPAC Name2-(2-butoxyethoxy)ethanol
Molecular FormulaC8H18O3
Molecular Weight162.23
XLogP0.6
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity66
SMILES
CCCCOCCOCCO
InChI
InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
InChIKey
OAYXUHPQHDHDDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylene Glycol Monobutyl Ether
CAS: 112-34-5
CID: 8177
Formula: C8H18O3
MW: 162.23
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight162.23
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass162.125594432
Monoisotopic Mass162.125594432
Topological Polar Surface Area38.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity66.4
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