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
    3.6304    0.3685    0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9018   -0.6626   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -0.8598    0.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4953   -0.0347    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895    1.1347   -0.3958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923   -0.4334    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728    0.4640   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973    1.5802   -0.7446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952   -0.0308   -0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1594    0.6737   -0.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7323    0.0788    0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835    0.2659    1.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5830    1.3914    0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4492   -1.6323    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0743   -0.4337   -1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281   -1.4829    0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423   -0.3868    1.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4936   -1.0080    0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8501    1.2350   -1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1757   -0.2271   -0.7748 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