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Methyl 10-methylheptadecanoate

CAT: 0804-HY-165941Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-165941Size:1 Each
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Description
Methyl 10-methylheptadecanoate is an ester product.
CAS Number
2490-25-7
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-methylheptadecanoate.html
Smiles
O=C(CCCCCCCCC(CCCCCCC)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 10-methylheptadecanoate
CAS Number2490-25-7
PubChem CID554139
IUPAC Namemethyl 10-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
CCCCCCCC(C)CCCCCCCCC(=O)OC
InChI
InChI=1S/C19H38O2/c1-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21-3/h18H,4-17H2,1-3H3
InChIKey
DRJCIKFLPGIEQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 10-methylheptadecanoate
CAS: 2490-25-7
CID: 554139
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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