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
   -3.9657    0.1374   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6868   -0.1826    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605    0.1225   -0.3844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983   -0.1131    0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2284   -0.5852    1.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077    0.1748   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786   -0.0662   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874    0.2144   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4715   -0.0182   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7990   -0.5289   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7318    0.0602   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981    1.1831   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389   -1.2656    0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6927    0.3680    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    0.5763   -1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1692   -0.4695    0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2058    0.6159   -1.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3778    0.1974   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -0.4205    0.7405 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