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
    3.3346    0.5173    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365    1.2441   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    0.5202    0.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195   -0.7709   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637   -1.3678   -1.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096   -1.3298    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588   -0.2826   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    0.8410   -0.5215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -0.5882    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301    0.3471    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1094   -0.5484    0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.9485    1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771    0.5442   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    2.2150    0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    1.5304   -1.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -1.5866    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -2.2197   -0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2922   -1.5406    0.7795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326    1.3459   -0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9700    0.1808    0.5665 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