Methyl 9-Octadecenoate

CAT: 0926-CAA46284Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-CAA46284Size:5 g

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CAS Number

2462-84-2

MDL Number

MFCD00066521

Smiles

CCCCCCCC/C=C/CCCCCCCC (=O) OC

Molecular Formula

C19H36O2

Molecular Weight

296.49 g/mol

Controlled

Chemical Information

Methyl elaidate

Methyl (9E)-9-octadecenoate is a fatty acid methyl ester.

CAS Number	2462-84-2
PubChem CID	5280590
IUPAC Name	methyl (E)-octadec-9-enoate
Molecular Formula	C19H36O2
Molecular Weight	296.5
XLogP	7.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	21
Formal Charge	0
Complexity	246

SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+

InChIKey

QYDYPVFESGNLHU-ZHACJKMWSA-N

Chemical Structure

2D Structure

CAS: 2462-84-2

CID: 5280590

Formula: C19H36O2

MW: 296.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.5
XLogP3	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	296.271530387
Monoisotopic Mass	296.271530387
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CAA77758	Methyl 6 (Z) -Octadecenoate
NFA27101-01	9-Methyl risperidone
BAA93163-01	Methyl 9-Oxononanoate
FP26869-01	(9-Phenanthryl) methyl methacrylate
FA167723-01	Alternariol-9-methyl ether
FM153440-01	9-Methyl-b-carboline
ABA45604	Methyl 9,10-dibromooctadecanoate
SWB42431-01	9''-Methyl salvianolate B
XC161681-01	Coumestrol-9-methyl ether
JNB41717-01	4-Hydroxyalternariol 9-methyl ether

Catalog	Name
TRC-M321350-250MG	Methyl 9-Octadecenoate
MBS392545-01	Methyl 9 (Z)-Octadecenoate
MBS392551-01	Methyl 9 (E)-Octadecenoate
MBS392704-01	Methyl 12-Oxo-9 (Z)-octadecenoate
HY-166065	Methyl 12-hydroxy-9 (E) -octadecenoate
MBS392733-01	Methyl 12-Hydroxy-9 (Z)-octadecenoate
MBS392735	Methyl 12-Hydroxy-9 (E)-octadecenoate
MBS392680-01	Methyl (+/-)-cis-12,13-Epoxy-9 (Z)-octadecenoate
MBS392682-01	Methyl (+/-)-cis-9,10-Epoxy-12 (Z)-octadecenoate
HY-165927	Methyl 9,10-cis-methylene-12 (Z) -octadecenoate