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
    3.4899    0.2736    0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.7953    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    0.2278    0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171    0.6521    0.5439 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0350   -0.1409   -0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995   -1.1354   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5949   -2.0539   -1.6424 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0975   -0.8629   -0.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1303   -0.7460    0.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6309    0.7704   -1.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829    0.6678    1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5206   -0.5944    0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503    1.6489    1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0847   -0.6382    0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2506   -0.0879    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9351   -1.7744    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042    1.6135   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7384    1.1343   -1.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3021    0.2501   -1.9519 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