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
   -4.0160    0.1853    0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7180   -0.2629   -0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6138    0.0825    0.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3195   -0.2124    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456   -0.8310   -1.0048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757    0.1053    0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913   -0.3855    0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1982   -1.5819   -0.1627 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246    0.5091   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3210    0.1282   -0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.0346   -0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331    0.5699    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8146   -0.6007    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7108   -1.3449   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5235    0.3018   -1.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.4206    1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833    1.1850    1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    1.5475    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1089    0.8738   -0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816   -0.8831   -1.0149 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