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
    2.9147    0.3596    1.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    0.8837   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7545    0.3334   -0.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -0.9949   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677   -1.7587   -0.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -1.6014   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258   -1.0169   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142    0.3869    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372    0.9397    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.0419    1.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955    1.1959    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5665   -0.4952    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9304    1.9814    0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916    0.7245   -1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404   -2.7090   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9576   -1.6103   -0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651    1.0431    0.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3059    0.3011    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5618    1.9952    0.2789 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