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
   -4.0152    0.1610    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384   -0.1856    0.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6666    0.1034    0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377   -0.0841    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0712   -0.5375    1.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595    0.2262   -0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.0794    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159   -0.5313    1.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2801    0.1577   -0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533   -0.1078   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3806   -0.7549   -0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8216    0.4940    0.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8543    0.9191   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5961    0.4415    1.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -1.2676    1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7013    1.3099   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911   -0.3544   -1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    0.5486   -1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5215   -0.5038    0.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3914    0.0450   -0.7154 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