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
    3.1632   -0.8770   -0.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8168    0.3100    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4565    0.4080    0.6460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    0.5438   -0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378    0.5847   -1.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9939    0.6451    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965   -0.6296   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -1.5889   -0.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1010   -0.7491    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7849    0.2513    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680   -0.8222   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132   -0.9112   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.8011    0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465    1.2551   -0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3567    0.1441    1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    0.9717    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.4469   -0.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6010   -1.6718   -0.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8508    0.1599    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3447    1.2240    0.8290 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