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Methyl Nonadecanoate

CAT: 0013-GTR19166088-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166088-01Size:100 mg
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Description
Methyl Nonadecanoate is the methyl ester derivative of nonadecanoic acid, a long-chain fatty acid ester. It serves as a standard in lipidomics and analytical chemistry for calibrating instruments like gas chromatographs. This compound is also utilized in research involving lipid metabolism and as a precursor in organic synthesis.
CAS Number
1731-94-8
Product Name Alternative
Inhibitor, Method, Methyl Nonadecanoate, Nonadecanoic Acid methyl ester, inhibit, Internal, standard, validation
Purity
≥98% (May vary between batches)
Solubility
DMSO:7 mg/mL (22.4 mM) ; Ethanol:63 mg/mL (201.58 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.2 mM)
Smiles
CCCCCCCCCCCCCCCCCCC (=O) OC
Molecular Formula
C20H40O2
Molecular Weight
312.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl nonadecan-1-oate

Methyl nonadecanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of nonadecanoic acid with methanol. It is functionally related to a nonadecanoic acid.

CAS Number1731-94-8
PubChem CID15610
IUPAC Namemethyl nonadecanoate
Molecular FormulaC20H40O2
Molecular Weight312.5
XLogP9.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count22
Formal Charge0
Complexity226
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKey
BDXAHSJUDUZLDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl nonadecan-1-oate
CAS: 1731-94-8
CID: 15610
Formula: C20H40O2
MW: 312.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.5
XLogP39.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass312.302830514
Monoisotopic Mass312.302830514
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity226
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

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