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Ethyl 11 (E) -octadecenoate

CAT: 0804-HY-166122-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-166122-01Size:10 mg
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Description
Ethyl 11 (E) -octadecenoate is an ester product.
CAS Number
89296-48-0
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/ethyl-11-e-octadecenoate.html
Smiles
O=C(CCCCCCCCC/C=C/CCCCCC)OCC
Molecular Formula
C20H38O2
Molecular Weight
310.51
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

11-Octadecenoic acid, ethyl ester, (E)-
CAS Number89296-48-0
PubChem CID543269
IUPAC Nameethyl octadec-11-enoate
Molecular FormulaC20H38O2
Molecular Weight310.5
XLogP8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count22
Formal Charge0
Complexity258
SMILES
CCCCCCC=CCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h9-10H,3-8,11-19H2,1-2H3
InChIKey
XZMSLYSQJNCDQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 11-Octadecenoic acid, ethyl ester, (E)-
CAS: 89296-48-0
CID: 543269
Formula: C20H38O2
MW: 310.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.5
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass310.287180451
Monoisotopic Mass310.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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HY-166065Methyl 12-hydroxy-9 (E) -octadecenoate
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Alternative Products

CatalogName
MBS394317-01Ethyl 11(Z)-octadecenoate
MBS394315-01Ethyl 9(E)-octadecenoate
MBS394314-01Ethyl 6(E)-octadecenoate
MBS394318-01Ethyl 11(E)-octadecenoate
MBS394316-01Ethyl 6(Z)-octadecenoate
MBS392790-01Ethyl 9 (Z)-Octadecenoate
E8605-96Ethyl-D-erythro-sphingosinate Hydrochloride (Ethyl trans-D-Erythro-2-amino-3-hydroxy-4-octadecenoate)
CAA46284Methyl 9-Octadecenoate
GTR19268877-01S-Octadecenoate-CoA
TRC-M324593-10MGMethyl trans-6-Octadecenoate

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