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
    3.7972   -0.5077    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -0.6398    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5081   -0.0547   -0.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231   -0.0104    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134   -0.5322    1.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7513    0.5967   -0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0462    0.7338   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664    0.2715    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1994    0.4433    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859   -0.4859    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    0.3979   -0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9269   -1.4010   -0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582   -1.7126    0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   -0.1309    1.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2587    1.0032   -1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5558    1.2206   -1.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374   -0.2290    1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7805    0.0973    0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6038    0.9400   -0.6918 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