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
   -3.2341    0.5592   -0.7191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3144    1.0123    0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9865    0.5561    0.2158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6243   -0.7668    0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4971   -1.6471    0.2827 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7562   -1.1416    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6943   -0.2317   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0773   -0.6598   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0541    0.2173   -0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319    1.2267   -0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939    0.5901   -1.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6286   -0.4627   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3566    2.1104    0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784    0.5849    1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315   -2.1768    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785    0.8446   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -1.7325   -0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    1.2651   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0571   -0.1476   -0.4598 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