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
   -3.8038    0.1702   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8076    0.1115    0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5203    0.0691   -0.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529    0.0107    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768   -0.0086    1.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164   -0.0283   -0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776   -0.0850    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2985   -0.1214   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541   -0.1779    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980    1.0865   -1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6970   -0.7541   -1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8053    0.2888   -0.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455    0.9156    1.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9532   -0.8594    0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9046   -0.0103   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1119   -0.1042    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402   -0.1016   -1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5017   -0.1971    1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553   -0.2047   -0.3973 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