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
   -3.3239    0.5601   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8866   -0.7307    0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5566   -0.6098    0.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899   -0.3440    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   -0.1915   -1.2209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487   -0.2397    0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936    0.0208   -0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2271    0.1236    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352    0.3781   -0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4201    0.7037   -0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8911    1.4345    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    0.6028   -1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -1.5733   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5099   -0.9000    1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -0.3707    1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7560    0.1588   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884   -0.0091    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883    0.5168   -1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2636    0.4695   -0.1818 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