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
   -3.4341   -0.1218   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770    0.3408    1.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642    0.7950    0.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242    0.0499    0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -1.1340    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    0.5612    0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842   -0.2073   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495    0.2882   -0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869   -0.4998   -0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5426   -0.0057   -0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1199    0.4886   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -1.1965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459   -0.5184    1.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3488    1.1910    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    1.5800    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -1.2213   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5358    1.2998   -0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2018   -0.1649   -1.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   -1.5249   -1.2631 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