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
   -3.1301    1.1220    0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.2648    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1976   -0.2249    0.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209   -1.3531   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076   -2.4493   -0.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0259   -1.2912   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.1593    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -0.0705    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470    1.0798    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4598    1.6189    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    1.1337    0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256    1.6944   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -0.9871    0.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0316   -0.5926   -0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728   -2.2008   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    0.7507    0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844   -0.9757   -0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    1.1578    0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2307    2.0122    0.3751 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