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
   -3.2133   -0.0930   -0.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782    0.9422   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0376    0.5639   -0.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132   -0.5516    0.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4816   -1.2810    1.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019   -0.8645    0.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6966   -0.0726    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.3632    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    0.4457   -0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659   -0.6947   -1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5815   -0.7968   -0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0884    0.3756   -1.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8215    1.1588    0.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824    1.8850   -0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377   -1.7592    1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3525    0.7962   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143   -1.2435    0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    1.3258   -0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447    0.2268   -0.2149 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