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
   -2.3757    1.5349    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225    0.1414    1.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5963   -0.7368    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685   -0.5268    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964    0.5099    0.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -1.4125   -0.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -1.2198   -1.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759   -0.1204   -1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4031   -0.1021   -2.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805    2.1165    0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0563    1.5813    0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139    2.0708    1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233    0.2212    2.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159   -0.2621    1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -2.3213   -1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7049   -1.9859   -2.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.7033   -0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004   -0.9128   -2.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0805    0.7212   -1.9057 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