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4-Hexyl-2-methoxy-1,3-dioxolane

CAT: 0926-KDA12413-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-KDA12413-01Size:50 mg
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CAS Number
85124-13-6
MDL Number
MFCD28505794
Smiles
CCCCCCC1COC (O1) OC
Molecular Formula
C10H20O3
Molecular Weight
188.26 g/mol
Controlled
No

Chemical Information

4-Hexyl-2-methoxy-1,3-dioxolane
CAS Number85124-13-6
PubChem CID70483139
IUPAC Name4-hexyl-2-methoxy-1,3-dioxolane
Molecular FormulaC10H20O3
Molecular Weight188.26
XLogP2.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity127
SMILES
CCCCCCC1COC(O1)OC
InChI
InChI=1S/C10H20O3/c1-3-4-5-6-7-9-8-12-10(11-2)13-9/h9-10H,3-8H2,1-2H3
InChIKey
LBANROLVFDLXGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hexyl-2-methoxy-1,3-dioxolane
CAS: 85124-13-6
CID: 70483139
Formula: C10H20O3
MW: 188.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.26
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass188.14124450
Monoisotopic Mass188.14124450
Topological Polar Surface Area27.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1026780-012-Methoxy-1,3-Dioxolane
MBS6032855-012-Methoxy-2-methyl-1,3-dioxolane
sc-357504A2- (3-Methoxy-phenoxymethyl) -[1,3]dioxolane
OR1090940-012- (4-bromo-2-methoxy-6-methylphenyl) -1,3-dioxolane
OR1097915-012- (5-Bromo-2-methoxy-4-methylphenyl) -1,3-dioxolane
PC1024972-012- (2-methoxy-6- (trifluoromethyl) phenyl) -1,3-dioxolane
OR1087760-012- (5-Bromo-2-methoxy-3-methylphenyl) -1,3-dioxolane
OR10877622- (3-Bromo-2-methoxy-5-methylphenyl) -1,3-dioxolane
sc-2250702- (4-Chlorobutyl) -1,3-dioxolane
OR111541-012- (4-Nitrophenyl) -1,3-dioxolane

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