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Ethyl 11-Eicosenoate

CAT: 0572-TRC-E138055-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E138055-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95806-61-4
Hazard Statement
No Data Available
Smiles
O=C(OCC)CCCCCCCCCC=CCCCCCCCC
Molecular Formula
C22H42O2
Molecular Weight
338.57

Chemical Information

Ethyl 11-eicosenoate
CAS Number95806-61-4
PubChem CID14204048
IUPAC Nameethyl (E)-icos-11-enoate
Molecular FormulaC22H42O2
Molecular Weight338.6
XLogP9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity284
SMILES
CCCCCCCC/C=C/CCCCCCCCCC(=O)OCC
InChI
InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h11-12H,3-10,13-21H2,1-2H3/b12-11+
InChIKey
BRACWSIXBQMMPL-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 11-eicosenoate
CAS: 95806-61-4
CID: 14204048
Formula: C22H42O2
MW: 338.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.6
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass338.318480578
Monoisotopic Mass338.318480578
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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