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
    4.0215    0.3671   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124   -0.6441   -0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.1502   -0.7391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    0.0739    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938   -0.1856    1.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076    0.6020    0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2550   -0.3826   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9076   -1.5074   -0.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6609   -0.0434   -0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482    1.1221    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786   -0.9732   -0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    1.3075    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4267   -0.0003    0.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162    0.6383   -0.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833   -1.5818   -0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -0.8215   -1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5332    0.9143    1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    1.5398   -0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3521    1.8345    0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0915    1.3831    0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3229   -1.3690    0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335   -1.7576   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3311   -0.3662   -1.3881 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