Monomers

Ethyl 4-methyl-3-oxopent-4-enoate

Identifiers

IUPAC name
ethyl 4-methyl-3-oxopent-4-enoate
InchI
InChI=1S/C8H12O3/c1-4-11-8(10)5-7(9)6(2)3/h2,4-5H2,1,3H3
InchI Key
QWEOLZXJIXWQIA-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(=O)C(=C)C
Canonical SMILES
CCOC(=O)CC(=O)C(=C)C
Isomeric SMILES
CCOC(=O)CC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H12O3
Heavy Atom Count
11
Molecular Weight
156.181
Exact Molecular Weight
156.0786
Valence Electrons
62
Radical Electrons
0
tPSA
43.37
MolLogP
1.0848
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

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.0018   -0.1464   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0038   -1.0174    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -0.7768   -0.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    0.4174   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419    1.3649    0.4856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3817    0.5952   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2355   -0.0369    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246   -0.6108    1.6068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6843   -0.0094    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4384   -0.5690    1.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2732    0.6924   -0.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3389    0.6515    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308   -0.7248   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259    0.3089   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471   -2.0766   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1609   -0.9264    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    1.6930   -0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127    0.1755   -1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5120   -0.5537    1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908   -1.0623    2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0819    1.7941   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.3405   -1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3463    0.4769   -0.6996 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
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  6 17  1  0
  6 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers