Monomers
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methylethenyl)-
Identifiers
IUPAC name
4,4-dimethyl-2-prop-1-en-2-yl-5H-1,3-oxazole
InchI
InChI=1S/C8H13NO/c1-6(2)7-9-8(3,4)5-10-7/h1,5H2,2-4H3
InchI Key
UZAAWTQDNCMMEX-UHFFFAOYSA-N
SMILES
CC(=C)C1=NC(CO1)(C)C
Canonical SMILES
CC(=C)C1=NC(CO1)(C)C
Isomeric SMILES
CC(=C)C1=NC(CO1)(C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H13NO
Heavy Atom Count
10
Molecular Weight
139.198
Exact Molecular Weight
139.0997
Valence Electrons
56
Radical Electrons
0
tPSA
21.59
MolLogP
1.7698
H Bond Acceptors
2
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
23 23 0 0 0 0 0 0 0 0999 V2000
3.2105 -0.6516 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 0.2023 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5734 1.1984 1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 -0.0426 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 0.6056 0.5421 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4845 0.0653 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0895 -0.7708 -1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2485 -1.0612 -0.7388 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3974 1.2048 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1128 -0.8355 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7228 -0.0547 -1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9231 -1.0846 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 -1.5214 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6219 1.4068 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8814 1.8584 1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7287 -1.6698 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1724 -0.2199 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4434 0.8561 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 1.6531 -1.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3163 1.9599 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 -0.2301 2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0543 -1.2202 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3885 -1.6484 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
7 8 1 0
6 9 1 0
6 10 1 0
8 4 1 0
1 11 1 0
1 12 1 0
1 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
7 17 1 0
9 18 1 0
9 19 1 0
9 20 1 0
10 21 1 0
10 22 1 0
10 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers