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
   -3.2371   -0.5831    0.7642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8997    0.6011   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5740    1.0466    0.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053    0.1918   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7620   -0.9768   -0.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8295    0.6778    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8601   -0.1102   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2332    0.3265    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098   -0.5263   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   -0.6411    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029   -1.5388    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2408   -0.4315    1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914    0.3681   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5635    1.4442    0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9868    1.6812    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6932   -1.1203   -0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642    1.3411    0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241   -1.5329   -0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2311   -0.2173    0.0581 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