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
   -3.2915   -0.6207   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3437   -1.7310   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -1.5883   -0.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2808   -0.4563   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7795    0.3950   -1.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.3003    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004    0.8034    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203    1.0056    0.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912    2.0914    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2873   -1.0226    0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5176    0.0217   -1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9186    0.0306    0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7777   -2.6789   -0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3043   -1.8145   -1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -1.0275    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    1.5670   -0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424    0.2538    1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2803    2.8355   -0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6614    2.2360    0.8840 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