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
   -3.2061    0.3649   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -0.8087    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155   -1.1589    0.0724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -0.2229    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186    0.9334    0.7161 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -0.5903    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8245    0.2944    0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077   -0.0973    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934    0.7603    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4230    0.4787   -1.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1956    0.2083   -1.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137    1.2550   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736   -1.7035   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508   -0.5644    1.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0746   -1.5918   -0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641    1.2704    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4439   -1.0799   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2225    0.4824    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0064    1.7699    0.7218 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