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
   -3.6309   -0.6321    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070    0.3422   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3041   -0.1494    0.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491    0.6354    0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2384    1.7559    0.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1222    0.1715    1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -0.8389    0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873   -1.9973    0.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047   -0.5592   -0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113    0.5915   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746   -0.2971    0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425   -1.5916    0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0623   -0.8218   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816    0.7498   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8152    1.1965    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764   -0.2962    2.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.0251    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4083   -1.4121   -0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133    0.6715   -1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2573    1.4566    0.0470 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