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
    3.8756   -0.5483    0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287   -0.5422   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5845    0.0130    0.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963    0.1708   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076   -0.1828   -1.4746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    0.7566    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    0.8689   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3491    1.7922   -0.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676   -0.1220    0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2735   -0.0765   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6372   -1.2652   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327   -0.8599    1.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2737    0.4849    0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8185    0.1845   -1.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871   -1.5460   -1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    0.1560    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024    1.7934    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405   -0.9280    0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9971   -0.8352   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5957    0.6858   -0.9810 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