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
3.1859 0.7220 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1315 -0.0713 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4442 -0.9099 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7218 0.0497 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 -0.5783 0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4726 -0.1686 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9415 0.3222 -1.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2866 0.9125 -0.9676 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0844 0.9729 0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 -1.2622 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5168 0.1691 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0279 0.9112 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7553 1.6929 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4821 -0.9991 1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6805 -1.4999 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5804 1.0442 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6360 -0.5432 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8111 1.5581 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2176 1.6396 0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4804 0.5742 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2042 -1.2971 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0017 -2.2302 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0397 -1.0086 -1.2521 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