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
    3.2032    1.3713   -0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5620    0.1858    0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639   -0.0541   -0.1285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565   -1.1091    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -1.8176    1.3683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8181   -1.4233   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6697   -0.2602    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1798    0.7301    0.9778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.3021    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8233    0.7488    0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4195    2.1375   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735    1.7757    0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6768    1.0604   -1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5963    0.3358    1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979   -0.7288    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8916   -1.5371   -1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299   -2.2960    0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5231   -1.1312   -0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    1.5959    0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8647    0.7182    0.2185 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