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
   -3.8289   -0.0129    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809   -0.6670   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4902    0.3211    0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200    0.0304    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403   -1.1114   -0.3791 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491    1.0392    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    0.9241    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195   -0.2602   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1766   -0.2722   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5657   -0.8404    0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450    0.5182    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0664    0.7364   -0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294   -1.5183    0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3928   -0.9841   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109    2.0015    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7470    1.7929    0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312   -1.1748   -0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6888   -1.1426   -0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    0.6202    0.1318 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