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
   -2.7171   -0.8926    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7646    0.4946    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073    0.6877   -0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237    0.5225   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1403    0.2002    0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5269    0.7291   -1.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138    0.6057   -1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777    0.2449   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8986    0.1487   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378   -1.4334    0.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -1.3973    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5970   -0.8439    2.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540    0.6624    0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397    1.2339    1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    1.0179   -2.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923    0.7998   -2.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0674    0.0461    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120   -0.1233    0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.3390   -0.9891 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