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
    3.5116    0.3561    0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    0.0075    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1239    0.0697    0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329   -0.2341    0.9184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680   -0.0591   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3408    0.4223   -1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.7130   -2.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869    0.4764   -0.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1426    0.8979    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6322   -1.4380   -0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596    0.6800   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    0.3302    1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857   -0.3135    2.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699    1.7797    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6614    1.2495   -0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    0.4283    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -2.1184   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -1.4520   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788   -1.7954    0.5318 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