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
   -1.7850   -0.0914    2.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735   -0.7572    1.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9543   -0.4291    0.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.6928    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253   -1.2615    1.9105 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533   -0.3166   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9677    0.2788   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9394    0.6554   -2.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5472    1.2509   -3.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7307    0.1423    3.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1341   -0.8016    3.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306    0.8275    2.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892   -1.8531    1.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9273   -0.3894    1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102   -0.5104   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782    0.4839   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9795    0.4402   -2.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5281    1.4878   -3.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    1.5361   -4.1400 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