Monomers

Ethyl Penta-2,4-dienoate

Identifiers

IUPAC name
ethyl penta-2,4-dienoate
InchI
InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,5-6H,1,4H2,2H3
InchI Key
MOJNQUDSDVIYEO-UHFFFAOYSA-N
SMILES
CCOC(=O)C=CC=C
Canonical SMILES
CCOC(=O)C=CC=C
Isomeric SMILES
CCOC(=O)C=CC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2
Heavy Atom Count
9
Molecular Weight
126.155
Exact Molecular Weight
126.0681
Valence Electrons
50
Radical Electrons
0
tPSA
26.3
MolLogP
1.2917
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.2454   -0.1573   -0.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665    0.0490    0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6486   -0.3693    0.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5247    0.1844    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329    1.1085   -0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.2881    0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8981    0.2124    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2051   -0.2868    0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3322    0.1695   -0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3581   -0.2005   -1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -1.1279   -1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8550    0.6992   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1399    1.0808    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6517   -0.6623    1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8925   -1.0834    1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8581    1.0074   -0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2750   -1.0864    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2935   -0.2173    0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3397    0.9681   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers