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
   -0.1331   -2.8650    1.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -1.6122    1.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7017   -0.6391    0.9269 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6068   -0.1588    0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009   -0.6111    1.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9617    0.8508   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756    1.3653   -1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766    2.3648   -1.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4059    2.8734   -2.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201   -2.7384    2.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668   -3.0292    0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400   -3.7596    2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7013   -1.2146    2.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0169   -1.9141    1.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9902    1.1741   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    1.0461   -0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    2.6960   -2.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244    2.5575   -2.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1096    3.6139   -3.4895 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