Monomers

Ethyl 3-oxopent-4-enoate

Identifiers

IUPAC name
ethyl 3-oxopent-4-enoate
InchI
InChI=1S/C7H10O3/c1-3-6(8)5-7(9)10-4-2/h3H,1,4-5H2,2H3
InchI Key
IEZWUJDDYLWKEP-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C=C
Canonical SMILES
CCOC(=O)CC(=O)C=C
Isomeric SMILES
CCOC(=O)CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O3
Heavy Atom Count
10
Molecular Weight
142.154
Exact Molecular Weight
142.063
Valence Electrons
56
Radical Electrons
0
tPSA
43.37
MolLogP
0.6947
H Bond Acceptors
3
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

 20 19  0  0  0  0  0  0  0  0999 V2000
   -3.3743   -0.6551    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8901    0.4588   -0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336    0.3770   -1.0972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089    0.3782   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8269    0.4589    1.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    0.2867   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707    0.2992    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638    0.3822    1.6178 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2859    0.2152    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734    0.2261    1.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6935   -1.5007    0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3435   -1.0648   -0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6367   -0.2274    1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    0.4171   -1.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1701    1.4610   -0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697    1.1178   -1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940   -0.6506   -1.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6068    0.1440   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774    0.2949    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2208    0.1633    0.8457 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers