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
    4.1413    1.0450    0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283   -0.0126   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9007    0.4218   -0.3017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497   -0.4221   -0.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655   -1.5728   -1.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.0377   -0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997   -0.6262    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7891   -1.3736    1.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -0.3498    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4672   -0.8522    1.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3155    0.5098   -0.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9422    1.1772    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9270    1.9904   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    0.6907    0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975   -0.9814    0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.1798   -1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5812    1.0768   -0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -0.4166   -1.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0192   -1.4804    1.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5350   -0.6696    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945    0.0191   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4207    0.5442   -0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8419    1.5001   -0.8985 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