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
    3.8358    0.1107    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526    0.3966    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -0.1606   -0.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969   -0.0414   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603    0.5897    1.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335   -0.6304   -0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -0.5780   -0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8167    0.0604    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1630    0.0424    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454    0.8627    0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8102    0.2900   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1598   -0.9334    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285    1.5155    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3223    0.0752    1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4265   -1.1595   -1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7341   -1.0659   -1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    0.5848    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7371    0.5049    1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6700   -0.4637   -0.5165 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