Ethyl linolelaidate

CAT: 0024-sc-280711Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280711Size:500 mg

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CAS Number

6114-21-2

Chemical Information

9,12-Octadecadienoic acid, ethyl ester

mandenol has been reported in Artemisia argyi and Dioscorea with data available.

CAS Number	6114-21-2
PubChem CID	5365672
IUPAC Name	ethyl (9E,12E)-octadeca-9,12-dienoate
Molecular Formula	C20H36O2
Molecular Weight	308.5
XLogP	7.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	22
Formal Charge	0
Complexity	292

SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC

InChI

InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8+,12-11+

InChIKey

FMMOOAYVCKXGMF-MVKOLZDDSA-N

Chemical Structure

2D Structure

CAS: 6114-21-2

CID: 5365672

Formula: C20H36O2

MW: 308.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.5
XLogP3	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	308.271530387
Monoisotopic Mass	308.271530387
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-215356	Methyl linolelaidate
sc-214700A	Cholesteryl linolelaidate
sc-214700	Cholesteryl linolelaidate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-327319	Ethyl 3-[ethyl (methyl) amino]butanoate
sc-237545	1-Ethyl-3-methylimidazolium ethyl sulfate

Catalog	Name
CAA56697	Methyl linolelaidate
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
RG-A261999-01	Ethyl Ethyl-D-Prolinate
OR1057866-01	Ethyl ethyl (methyl) carbamate
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)
106-33-2	Ethyl dodecanoate (Ethyl laurate)
MBS6052231-01	Ethyl Thiooxamate (Ethyl Aminothioxoacetate)