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
   -3.3129   -0.1228   -0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2267   -1.1529   -0.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0015   -0.5862   -0.2943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030   -1.2905   -0.3954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -2.4456   -0.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4686   -0.6998    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.5078    0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8467    1.0294    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9423    2.2425    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8363   -0.3375    0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0380   -0.2177   -1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    0.8799   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2080   -1.4477   -1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4645   -2.0857   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508   -1.3385   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.1327    0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7503    0.4332    0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112    2.5974    1.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    2.9021    1.6192 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