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
    2.9189    0.9597   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1169    0.1918   -1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8528   -0.1764   -0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6332   -0.9805    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6335   -1.4152    1.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   -1.3472    0.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.7586    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0413   -1.3706   -0.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046    0.4529    0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4374    0.9634   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991    1.3755    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6620    0.2896    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384    1.8149   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6889   -0.6551   -1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344    0.8866   -1.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8201   -1.0319    1.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556   -2.4662    0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516    0.9425    1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9647    1.8618   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    0.4631   -1.2582 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