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
   -2.9425   -0.2500   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802    0.7635   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7588    0.3483    0.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3703   -0.7585    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473   -1.4191    1.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945   -1.2104    1.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -0.6538    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938    0.5408   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3386    1.0410   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6628   -0.6954   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5986    0.2611   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814   -1.0387   -1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883    1.0856    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342    1.6833   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1653   -2.1295    1.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834   -1.0980    0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865    1.0480   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3538    1.9212   -1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607    0.5606   -0.3653 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