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
   -0.0271   -3.1302   -1.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0908   -2.9999    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014   -1.7895    0.5688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164   -0.5791    0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9942   -0.6117   -0.6536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    0.6855    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    1.8264    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778    1.6102   -0.7674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816    3.1977    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    4.1823   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497   -2.6492   -1.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205   -2.5689   -1.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205   -4.1663   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148   -3.8332    0.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189   -3.1231    0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6906    0.7117    0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    0.6765    1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1127    3.3797    0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    5.1923   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955    3.9889   -0.9113 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