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(2E,4E)-2,4-Decadienoic Acid Methyl Ester

CAT: 0572-TRC-D210585-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D210585-1GSize:1 g
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CAS Number
7328-33-8
Synonyms
(2E,4E)-2,4-Decadienoic Acid Methyl Ester
Hazard Statement
No Data Available
Smiles
CCCCC\C=C\C=C\C(=O)OC
Molecular Formula
C11 H18 O2
Molecular Weight
182.259
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7+,10-9+
Additionnal Information
IUPAC name: methyl (2E,4E)-deca-2,4-dienoate
Shipping Conditions
Room Temperature

Chemical Information

Methyl 2,4-decadienoate, (2E,4E)-

Formyl 2E,4E-decadienoate is a fatty acid ester.

CAS Number7328-33-8
PubChem CID5463485
IUPAC Namemethyl (2E,4E)-deca-2,4-dienoate
Molecular FormulaC11H18O2
Molecular Weight182.26
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
CCCCC/C=C/C=C/C(=O)OC
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7+,10-9+
InChIKey
SFHSEXGIVSBRRK-XBLVEGMJSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,4-decadienoate, (2E,4E)-
CAS: 7328-33-8
CID: 5463485
Formula: C11H18O2
MW: 182.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight182.26
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass182.130679813
Monoisotopic Mass182.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes