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
   -0.3273    2.2030    2.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5694    1.7026    1.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776    0.3800    1.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424   -0.0133    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108    0.8592   -0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -1.3972   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2507   -1.9701   -1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -1.2824   -1.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514   -1.9424   -2.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5887    2.7910    3.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3704    1.4015    2.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732    2.9086    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106    2.4165    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014    1.7007    2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2706   -2.0977    0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249   -3.0385   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4520   -0.2454   -1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -2.9853   -2.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8006   -1.3908   -3.3377 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