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Decyl methanesulfonate

CAT: 0804-HY-W986917Size: 1 EachDry Ice: NoHazardous: No
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Description
Decyl methanesulfonate is an ester product.
CAS Number
41233-29-8
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/decyl-methanesulfonate.html
Smiles
O=S(=O)(OCCCCCCCCCC)C
Molecular Formula
C11H24O3S
Molecular Weight
236.37
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl decanesulfonate
CAS Number41233-29-8
PubChem CID148414
IUPAC Namemethyl decane-1-sulfonate
Molecular FormulaC11H24O3S
Molecular Weight236.37
XLogP4.1
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count15
Formal Charge0
Complexity216
SMILES
CCCCCCCCCCS(=O)(=O)OC
InChI
InChI=1S/C11H24O3S/c1-3-4-5-6-7-8-9-10-11-15(12,13)14-2/h3-11H2,1-2H3
InChIKey
NSLRWZAGVYHOTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl decanesulfonate
CAS: 41233-29-8
CID: 148414
Formula: C11H24O3S
MW: 236.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight236.37
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass236.14461580
Monoisotopic Mass236.14461580
Topological Polar Surface Area51.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity216
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