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
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
3.2520 -0.2044 -0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4990 -0.5808 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0646 -0.4175 0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4028 0.0925 -0.1986 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0189 0.1392 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1337 -0.4547 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1085 -0.6819 2.1256 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1855 -0.7697 1.7552 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6963 -0.6897 -1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4613 1.5825 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8150 0.2443 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3165 -0.3495 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9849 -1.0291 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3009 -1.7215 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7935 -0.7027 -0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4565 -0.3179 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5339 1.7090 -0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1069 2.0704 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9099 2.0814 -0.8131 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