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
   -3.2529    0.0284   -1.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528   -0.0395    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1389   -0.0233    0.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -0.0785    1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635   -0.1420    2.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536   -0.0634    1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133    0.0030   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    0.0178   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    0.0846   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -0.1013   -1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    1.0246   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0653   -0.7228   -1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -0.9600    0.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    0.8326    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7385   -0.1105    2.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    0.0466   -0.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605   -0.0262    0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806    0.0983   -1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204    0.1314   -2.3609 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