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
    3.2672    0.2751   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225    1.1662   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    0.7571   -0.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -0.4698    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -1.1794    0.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666   -0.9487    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258   -0.2284   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0875   -0.7365   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0758   -0.0249   -0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9582   -0.7640   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4952    0.6676   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491    0.2710   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629    2.1797   -0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872    1.3529    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841   -1.9052    0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    0.7480   -0.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3185   -1.6950    0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0784   -0.4186   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    0.9530   -1.0870 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