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
    3.1722    1.6863   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084    1.4525   -0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797    0.6180    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    0.3470   -0.4806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315   -0.5030    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -0.6897    1.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2579   -1.3578    2.6022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1350    0.0163    1.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470   -1.8147   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076    0.1974    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3804    1.2528    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    2.2892   -0.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8040    1.8802   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4635   -2.5568    0.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2508   -2.2097    0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924   -1.7480   -1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.4142   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7407   -0.4363    1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0088    1.1623    1.3334 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