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
   -3.1875    0.9638   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -0.1967   -0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072   -0.2132   -0.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040   -0.3181    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649   -0.3953    1.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -0.3382    1.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -0.2579    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1278   -0.2842    0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168   -0.2023   -0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4164    0.6632    0.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0812    1.3091   -0.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546    1.8056   -0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925   -1.1393   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6415   -0.0989   -1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1416   -0.4205    2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224   -0.1725   -0.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130   -0.3689    1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7252   -0.1183   -1.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690   -0.2174   -0.3414 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