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
   -3.4191    1.2675    0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7409    0.1596   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4616   -0.0227    0.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396   -0.9340   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8218   -1.6938   -1.1659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777   -0.9974    0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -0.2914   -0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    0.2760   -1.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764   -0.2621    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355    0.3634   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4982    1.0597    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425    2.2334   -0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9619    1.3269    1.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3428   -0.7849   -0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7543    0.3686   -1.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0561   -2.0688    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126   -0.4916    1.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001   -0.7596    1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    0.8821   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1280    0.3691    0.0071 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