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
   -3.3233    2.0490   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6482    0.8177   -0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576    0.7519   -0.2937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -0.3079   -0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032   -1.1873   -1.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8468   -0.3190    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455   -1.3136   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9810   -1.2165    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0748   -1.1305    1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451    2.5278   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212    2.7680    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8064    1.7392    0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2564   -0.0824   -0.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5546    1.0307   -1.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    0.4807    0.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485   -2.1443   -0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3797   -2.4545    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384   -1.8018    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3160   -0.2070    1.7923 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