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
   -3.0062    1.5730    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710    0.0994    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -0.3360   -0.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -0.1662    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255    0.4063    1.2971 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596   -0.6202   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -0.4644   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272   -0.9346   -0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2582   -0.8004   -0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5209    1.8265    1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9805    1.9896    0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6019    2.0482   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8405   -0.1928   -0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0694   -0.4293    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378   -1.1111   -1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186    0.0186    0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8811   -1.4221   -1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273   -0.3191    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824   -1.1653   -0.9031 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