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
    2.3943   -1.7534    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2335   -0.3670   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8772    0.0619   -0.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450    1.3006   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3642    2.0158   -1.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8695    1.8448   -0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9563    1.3309   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9937    0.0137    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1322   -0.4979    0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288   -2.4933   -0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826   -1.7953    0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -2.0928    0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394   -0.3808   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8666    0.3193    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9927    2.8782   -1.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8795    1.8898   -0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180   -0.6015    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256    0.1121    0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1232   -1.4777    1.4025 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