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
    3.2612   -0.0469   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577    0.3828    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476   -0.3213    0.6243 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   -0.2132   -0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4691    0.5625   -1.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587   -0.9950   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -0.5771    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230   -1.0475    2.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    0.3263    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242    0.8796   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471    0.4904   -1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3095    0.2073   -0.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.1177   -0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0019    0.1618    1.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899    1.4887    0.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190   -0.9071   -1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -2.0716   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5048    0.5945    1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1618    1.5390   -0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108    0.6644   -1.2899 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