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Methyl Pentadecanoate

CAT: 1489-M9470-03Size: 25 mLDry Ice: NoHazardous: No
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CAT#:1489-M9470-03Size:25 mL
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CAS Number
7132-64-1
Purity
0.98

Chemical Information

Methyl Pentadecanoate

Methyl pentadecanoate is a fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. It has a role as a plant metabolite and a bacterial metabolite. It is functionally related to a pentadecanoic acid.

CAS Number7132-64-1
PubChem CID23518
IUPAC Namemethyl pentadecanoate
Molecular FormulaC16H32O2
Molecular Weight256.42
XLogP7.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count18
Formal Charge0
Complexity178
SMILES
CCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
InChIKey
XIUXKAZJZFLLDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Pentadecanoate
CAS: 7132-64-1
CID: 23518
Formula: C16H32O2
MW: 256.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.42
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass256.240230259
Monoisotopic Mass256.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity178
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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