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
   -3.0831   -0.0523   -0.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283   -0.4562    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6113    0.1890    1.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278    0.1181    0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3105   -0.5825   -0.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215    0.7974    1.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176    0.6127    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0336    1.4482    0.8274 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4845   -0.3923   -0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7269   -0.4533   -0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1904   -0.1054   -0.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660   -0.7191   -1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8293    1.0263   -1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5678   -1.5567    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5882   -0.2473    1.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017    1.9151    1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    0.5011    2.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -1.1486   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158   -1.2039   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    0.3095   -0.6280 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