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Methyl 15-methylheptadecanoate

CAT: 0804-HY-166197Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-166197Size:1 Each
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Description
Methyl 15-methylheptadecanoate is an ester product.
CAS Number
54833-55-5
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-15-methylheptadecanoate.html
Smiles
O=C(CCCCCCCCCCCCCC(CC)C)OC
Molecular Formula
C19H38O2
Molecular Weight
298.50
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl 15-methylheptadecanoate
CAS Number54833-55-5
PubChem CID554152
IUPAC Namemethyl 15-methylheptadecanoate
Molecular FormulaC19H38O2
Molecular Weight298.5
XLogP8.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity226
SMILES
CCC(C)CCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H38O2/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(20)21-3/h18H,4-17H2,1-3H3
InChIKey
NMNGCYQFGHXXPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 15-methylheptadecanoate
CAS: 54833-55-5
CID: 554152
Formula: C19H38O2
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass298.287180451
Monoisotopic Mass298.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity226
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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MBS392667-01Methyl 15-Methylheptadecanoate
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