Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5689   -0.1745    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839   -0.5612    0.8387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666   -0.1544    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432   -0.4804    0.8589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680    0.0583    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4232    0.7709   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    1.4255   -1.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9453    0.6083   -0.8334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453   -1.0763   -0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727    1.0479    0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988    0.4270   -0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249   -0.4777    0.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.1537    1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -1.6889   -1.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1745   -1.7029    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8949   -0.6991   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    1.5970    1.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3943    1.7838    0.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5545    0.4505    1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers