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
    3.3016   -0.7461   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806   -1.0351   -1.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1964   -0.2943   -1.2281 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217   -0.4025   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -1.1853    0.7765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9264    0.3945   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    0.1462    1.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3109   -0.6535    1.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9934    0.8311    1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4661    1.6812    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645   -0.7311   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1041    0.2274    0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2564   -1.5520    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -0.8536   -2.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320   -2.1143   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5522    0.0786   -1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347    1.4761   -0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5928    0.6647    2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3971    2.2038    0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881    1.8641   -0.5261 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