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Behenyl oleate

CAT: 0804-HY-W127358Size: 1 EachDry Ice: NoHazardous: No
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Description
Behenyl oleate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
127566-70-5
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/behenyl-oleate.html
Solubility
10 mM in DMSO
Smiles
CCCCCCCC/C=C\CCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O
Molecular Formula
C40H78O2
Molecular Weight
591.05
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Behenyl oleate

Behenyl oleate is a wax ester.

CAS Number127566-70-5
PubChem CID56935970
IUPAC Namedocosyl (Z)-octadec-9-enoate
Molecular FormulaC40H78O2
Molecular Weight591.0
XLogP18.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count37
Heavy Atom Count42
Formal Charge0
Complexity526
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h18,24H,3-17,19-23,25-39H2,1-2H3/b24-18-
InChIKey
QKPJNZCOIFUYNE-MOHJPFBDSA-N
Chemical Structure
2D Structure
2D structure of Behenyl oleate
CAS: 127566-70-5
CID: 56935970
Formula: C40H78O2
MW: 591.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.0
XLogP318.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count37
Exact Mass590.60018173
Monoisotopic Mass590.60018173
Topological Polar Surface Area26.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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