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Ethyl (E) -2-dodecenoate

CAT: 0013-GTR19243261-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243261-03Size:10 mg
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Description
Ethyl (E) -2-dodecenoate is a synthetic long-chain unsaturated fatty ester used in organic synthesis. It serves as a biochemical tool in research, including in vitro studies exploring lipid metabolism and as a potential pheromone or signaling molecule in biological systems.
CAS Number
78217-11-5
Smiles
O=C (OCC) C=CCCCCCCCCC
Molecular Formula
C14H26O2
Molecular Weight
226.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Dodecenoic acid, ethyl ester, (2E)-

Ethyl (E)-2-dodecenoate is a fatty acid ester.

CAS Number78217-11-5
PubChem CID11287580
IUPAC Nameethyl (E)-dodec-2-enoate
Molecular FormulaC14H26O2
Molecular Weight226.35
XLogP5.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity185
SMILES
CCCCCCCCC/C=C/C(=O)OCC
InChI
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h12-13H,3-11H2,1-2H3/b13-12+
InChIKey
GZXNVYMVJSTRNI-OUKQBFOZSA-N
Chemical Structure
2D Structure
2D structure of 2-Dodecenoic acid, ethyl ester, (2E)-
CAS: 78217-11-5
CID: 11287580
Formula: C14H26O2
MW: 226.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.35
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass226.193280068
Monoisotopic Mass226.193280068
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity185
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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