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
    3.0681   -1.3911   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1421   -0.9291   -1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9361   -0.3834   -0.6525 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -1.0342    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2631   -2.2248    0.4151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407   -0.3956    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313    0.8512    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    1.4445    0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464    2.6867    0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351   -0.7200    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1055   -1.3190   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275   -2.4572    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -1.7779   -1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569   -0.1327   -1.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9472   -0.9463    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097    1.3917   -0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422    0.8749    1.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    3.2758   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569    3.1863    0.7488 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