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
   -3.2579    0.2594   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593   -0.6042    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5218   -1.0598    0.4625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4999   -0.1233    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037    1.0889    0.4576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781   -0.5948    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789    0.2756    0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547   -0.1627    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2268    0.7211    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088    1.2959   -0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8776   -0.2527   -1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3852    0.2554   -0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -0.1298    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027   -1.5299    0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051   -1.6439    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667    1.3291    0.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564   -1.2438    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9816    1.7641    0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2416    0.3552    0.0663 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