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11-Eicosenoic Methyl Ester

CAT: 0013-GTR19258926-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258926-02Size:5 mg
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Description
11-Eicosenoic Methyl Ester is a fatty acid methyl ester widely used in biochemical experiments and drug synthesis research.
CAS Number
3946-08-5
Smiles
O=C (OC) CCCCCCCCCC=CCCCCCCCC
Molecular Formula
C21H40O2
Molecular Weight
324.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 11-eicosenoate

Methyl 11-eicosenoate is a fatty acid methyl ester.

CAS Number3946-08-5
PubChem CID102251
IUPAC Namemethyl icos-11-enoate
Molecular FormulaC21H40O2
Molecular Weight324.5
XLogP8.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity271
SMILES
CCCCCCCCC=CCCCCCCCCCC(=O)OC
InChI
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3
InChIKey
RBKMRGOHCLRTLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 11-eicosenoate
CAS: 3946-08-5
CID: 102251
Formula: C21H40O2
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count18
Exact Mass324.302830514
Monoisotopic Mass324.302830514
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity271
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

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MBS578767810-Hydroxyoleoside 11-methyl ester
OR1030401-0111-A-Hydroxy Canrenone Methyl Ester
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