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
3.5312 0.0196 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4946 0.5564 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1674 0.1214 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0805 0.5717 0.6002 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0926 -0.0207 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5382 -0.9446 -0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 -1.6931 -1.7730 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8394 -0.8038 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 -0.7914 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9317 1.0462 -0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5260 0.3222 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4189 -0.7136 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6428 1.2989 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7662 -0.1667 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8221 -1.1043 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2026 -1.7113 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4328 1.6479 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2520 1.7187 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6513 0.6465 -1.3628 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