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
   -2.9970    0.0894    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7423   -0.0074   -0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -0.6694   -0.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936   -0.2178   -0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289    0.8169    0.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267   -0.9242   -0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277   -0.6188   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5140    0.5083    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177    0.7018    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5772    1.0218    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861   -0.0020    1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.7471    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5721   -0.5791   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7977    1.0281   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7918   -1.8409   -1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436   -1.2750   -0.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    1.1887    0.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5193    0.0021    0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    1.5246    1.1602 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