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
    3.7210   -0.8157   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5979    0.0151   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -0.2693   -0.1109 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395    0.3516   -0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1088    1.1677   -1.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338    0.0189    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1301    0.7544   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0422    1.5259   -1.0071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878    0.5766    0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4830   -0.2271    1.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8980   -0.4235    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -1.8691   -0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6429   -0.7812   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3845   -0.2688   -1.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7942    1.0973   -0.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488    0.2393    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421   -1.0855    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2674    1.1096    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6257   -0.7684    2.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4194   -0.3477    2.1755 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