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Oleyl oleate

CAT: 0931-TCL-00185-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-TCL-00185-01Size:1 g
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CAS Number
3687-45-4
Bioactivity
Oleyl oleate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
CCCCCCCC/C=C\CCCCCCCC(OCCCCCCCC/C=C\CCCCCCCC)=O
Molecular Formula
C36H68O2
Molecular Weight
532.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oleyl Oleate

Oleyl oleate is a wax ester obtained by the formal condensation of oleic acid and oleyl alcohol. It is functionally related to an oleic acid and a (9Z)-octadecen-1-ol.

CAS Number3687-45-4
PubChem CID5364672
IUPAC Name[(Z)-octadec-9-enyl] (Z)-octadec-9-enoate
Molecular FormulaC36H68O2
Molecular Weight532.9
XLogP15.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count32
Heavy Atom Count38
Formal Charge0
Complexity507
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-
InChIKey
BARWIPMJPCRCTP-CLFAGFIQSA-N
Chemical Structure
2D Structure
2D structure of Oleyl Oleate
CAS: 3687-45-4
CID: 5364672
Formula: C36H68O2
MW: 532.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.9
XLogP315.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count32
Exact Mass532.52193141
Monoisotopic Mass532.52193141
Topological Polar Surface Area26.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-O532300-500MGOleyl Oleate
HY-W668407-01Oleyl stearate
165745-01Oleyl Bromide
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MBS393403-01Oleyl Myristate
sc-489235Oleyl Phosphate
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MC11044-01LPA (Oleyl)
sc-478538Oleyl Mesylate

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