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
   -3.2780    0.0629   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545    0.3584    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0697    0.2485    0.3832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5009   -0.9599   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -1.9257   -0.2125 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318   -1.0132   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7011    0.0327   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -0.0161   -0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256    1.0280   -0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8284   -0.8865   -0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6077    0.0169   -1.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9785    0.9187   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167    1.4075    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754   -0.3022    1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353   -1.9526   -0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982    0.9763    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5874   -0.9532   -0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    1.9612    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    0.9983   -0.4172 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