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
    3.8405   -0.0943    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5038    0.2414   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4397   -0.3005    0.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074   -0.0855    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.5997   -0.9619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0052   -0.6111    0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470   -0.4546    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7856    0.2751   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1220    0.3445   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355   -0.5164   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3807    0.7854    0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335   -0.8108    1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195   -0.1086   -1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3676   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615   -1.2061    1.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890   -0.9323    1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812    0.7907   -1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7367   -0.1578   -0.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5493    0.8737   -1.6194 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