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
   -3.1921   -0.1571    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3659   -0.9638   -0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0131   -0.6022   -0.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.7038   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324    1.5814   -1.0342 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8013    1.0616   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6838    0.1379   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772    0.4532    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203   -0.4744    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    0.3102   -0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177   -0.8313    1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.6410    0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6181   -0.7548   -1.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943   -2.0552   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1253    2.0848   -0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -0.8753    0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4088    1.4575   -0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663   -0.2170    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623   -1.5002    0.5601 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