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
   -2.7318    0.0974   -1.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7567    0.4183    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7279   -0.3226    1.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126   -0.0715    0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2751    0.7778   -0.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908   -0.7909    1.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441   -0.6723    0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691    0.2110   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7921    0.2433   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7799    0.9950   -1.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6711   -0.4787   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030   -0.5765   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7062    0.1053    0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    1.4993    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -1.5171    1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6651   -1.2969    1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8772    0.8620   -0.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1965    0.8964   -1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538   -0.3794    0.1799 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