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Methyl 10-methyldodecanoate

CAT: 0804-HY-166095Size: 1 EachDry Ice: NoHazardous: No
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Description
Methyl 10-methyldodecanoate is an ester product.
CAS Number
5129-65-7
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/methyl-10-methyldodecanoate.html
Smiles
O=C(CCCCCCCCC(CC)C)OC
Molecular Formula
C14H28O2
Molecular Weight
228.37
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl 10-methyldodecanoate
CAS Number5129-65-7
PubChem CID521323
IUPAC Namemethyl 10-methyldodecanoate
Molecular FormulaC14H28O2
Molecular Weight228.37
XLogP5.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity166
SMILES
CCC(C)CCCCCCCCC(=O)OC
InChI
InChI=1S/C14H28O2/c1-4-13(2)11-9-7-5-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
InChIKey
TXYNTTGOJGLDCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 10-methyldodecanoate
CAS: 5129-65-7
CID: 521323
Formula: C14H28O2
MW: 228.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.37
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass228.208930132
Monoisotopic Mass228.208930132
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS392653-01Methyl 10-Methyldodecanoate
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