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
    3.5746   -0.7690    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3094    0.6262    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9735    0.9142    0.2245 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705    0.2644   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7343   -0.6690   -1.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2532    0.6349   -0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842   -0.2436   -0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494   -1.1711    0.4986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6114   -0.0447   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0904    0.9451   -1.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5954   -0.9066    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0191   -1.4189    0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6788   -1.2555    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416   -0.7214    1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    1.3613    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999    0.8223   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4231    0.5122   -2.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4322    1.7159   -0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353    1.1440   -1.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    1.5999   -1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2344   -0.2737    1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0495   -1.6599    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737   -1.4070   -0.3157 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