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Diethylene glycol monohexyl ether

CAT: 0931-TSH-00135-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TSH-00135-01Size:100 mg
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CAS Number
112-59-4
Bioactivity
Diethylene glycol monohexyl ether is a reagent used in biochemical reactions.
Smiles
OCCOCCOCCCCCC
Molecular Formula
C10H22O3
Molecular Weight
190.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diethylene glycol monohexyl ether

Diethylene glycol n-hexyl ether is a water-white liquid. (USCG, 1999)

CAS Number112-59-4
PubChem CID8199
IUPAC Name2-(2-hexoxyethoxy)ethanol
Molecular FormulaC10H22O3
Molecular Weight190.28
XLogP1.7
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count13
Formal Charge0
Complexity86
SMILES
CCCCCCOCCOCCO
InChI
InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3
InChIKey
GZMAAYIALGURDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylene glycol monohexyl ether
CAS: 112-59-4
CID: 8199
Formula: C10H22O3
MW: 190.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.28
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass190.15689456
Monoisotopic Mass190.15689456
Topological Polar Surface Area38.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity86.2
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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