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
    3.3694    0.3874    0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869    0.9039    1.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    0.3185    1.3508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    0.3472    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7674    0.9471   -0.7761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260   -0.2794    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6290   -0.0620   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183    0.5703   -2.0419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -0.5927   -1.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009   -1.2676   -0.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    1.0559   -0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4220    0.4021    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1053   -0.6534    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873    1.9986    1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102    0.7394    2.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751    0.0983    1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9323   -1.3883    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3832   -0.4349   -2.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5845   -1.6773   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1450   -1.4132    0.5113 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