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
    3.6195    1.1194   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -0.1774   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    0.2298   -0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3800   -0.6253   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -1.8660   -0.0607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823   -0.0753   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0353   -1.0847   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483   -2.2960   -0.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359   -0.6805   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7420    0.5996   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977    0.9182   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922    1.7109   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2945    1.6596    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874   -0.6309   -1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734   -0.8385    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253    0.6065   -0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1151    0.5722    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2460   -1.4000   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7820    0.8764   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0011    1.3820   -0.0698 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