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
    3.0207    0.4722    1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9567    1.3413    0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    0.6594   -0.5569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4786   -0.4652   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200   -0.9613    0.7934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722   -1.1438   -1.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.8962   -1.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384   -1.4164   -2.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617   -0.0935   -0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    0.1006   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6466    0.0051    2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -0.3000    0.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717    1.1209    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    2.2095   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    1.7559    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0709   -0.8517   -2.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401   -2.2637   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666    0.3577    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1480    0.6975    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3236   -0.3285   -1.0798 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