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
   -3.8414   -0.6199    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791    0.4566    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -0.2280    0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249    0.4437    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236    1.6920    0.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969   -0.3442    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436    0.2860   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821   -0.4774   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4524    0.1419   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0588   -0.9550   -0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4044   -1.4625    1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7682   -0.2158    0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9284    1.1544   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7435    0.9651    1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -1.4188    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0668    1.3926   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2168   -1.5521   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3398   -0.4686   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4872    1.2099   -0.2181 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