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Hexadecanoic Acid Ethyl Ester

CAT: 1299-RM-O050311-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O050311-03Size:50 mg
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CAS Number
628-97-7
Synonyms
Ethyl palmitate
Molecular Formula
C18H36O2
Molecular Weight
284.48
Product Name Synonym
Ethyl palmitate

Chemical Information

Ethyl palmitate

Ethyl hexadecanoate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of ethanol. It has a role as a plant metabolite. It is a long-chain fatty acid ethyl ester and a hexadecanoate ester.

CAS Number628-97-7
PubChem CID12366
IUPAC Nameethyl hexadecanoate
Molecular FormulaC18H36O2
Molecular Weight284.5
XLogP7.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
CCCCCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
InChIKey
XIRNKXNNONJFQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl palmitate
CAS: 628-97-7
CID: 12366
Formula: C18H36O2
MW: 284.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.5
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass284.271530387
Monoisotopic Mass284.271530387
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
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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