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
3.2057 -0.3699 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1663 0.2859 -0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5007 1.1283 -1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 0.0009 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2714 0.4745 -0.6797 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4704 -0.0676 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0178 -0.5956 1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3395 -0.8922 0.8989 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0964 -1.1468 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 1.1016 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1979 -0.2898 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9662 -1.4236 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2645 0.1691 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7858 1.6529 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5472 1.3263 -1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5806 -1.5117 1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0986 0.1574 2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4594 -1.4713 -1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3322 -1.9962 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 -0.7508 -1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4719 0.7590 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0713 1.7154 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3676 1.7441 -0.8100 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