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
   -3.2841   -0.6687    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993   -0.2975    1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0351   -0.2253    0.8137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.6189   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    1.3903   -0.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    0.7011   -0.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108   -0.2502    0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747   -0.9922    1.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382   -0.3503    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7043    0.4348   -0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7753    0.2403   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1139   -1.2840    0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688   -1.2819   -0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7893    0.6470    1.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4719   -1.1016    1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9320    0.4708   -1.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2598    1.7519   -0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731   -1.0384    0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1306    1.1477   -1.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    0.4039   -1.0434 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