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
    3.8193    0.0182   -0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328    0.6380    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518   -0.0414   -0.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1334    0.2397   -0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1298    1.1602    0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034   -0.5852   -0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2578   -0.1952   -0.5312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189    0.3825   -1.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7212   -0.4745    0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9201   -0.1406    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1412   -0.8615    0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5820   -0.2818   -1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883    0.8219   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    1.6887   -0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5458    0.6098    1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810   -0.3437   -2.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7215   -1.6641   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484   -0.9719    1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5831    0.3575    0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2277   -0.3565    2.2408 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