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
    3.3393   -0.3022    0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -0.2786   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771   -0.1465   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4284   -0.0426    0.6173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647    0.0703    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    0.0134   -1.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8927    0.0748   -1.9800 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -0.1166   -1.5593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8066   -1.0595    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5401    1.4171    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -0.3993    0.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7827   -0.2192    1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -0.3598   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925   -1.7129   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3107   -1.6925    1.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.6264    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    2.0563   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    1.3241    1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7894    2.0002    1.2486 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