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
   -3.3673    0.0586    0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863    0.0135   -1.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3822    0.5021   -1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056   -0.0740   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467   -1.0413    0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9783    0.4072   -0.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647   -0.1803    0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    0.2677    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.3313    1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -0.7198    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4646   -0.1333   -0.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3448    1.0882    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835    0.6559   -1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7781   -1.0168   -1.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100    1.2393   -0.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -1.0316    0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5429    1.0971   -0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441   -0.0331    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7831   -1.1641    1.8076 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