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
2.7517 0.9739 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2023 -0.0092 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 -0.6893 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 -0.1825 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1181 0.4428 0.4895 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4563 -0.0052 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 -1.3526 -0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0943 -1.0804 -1.0942 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 0.8750 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3293 -0.0759 1.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8452 0.8831 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5645 1.9871 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2543 0.8814 1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6096 -1.3999 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0609 -0.5396 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9657 -2.1408 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8553 -1.6297 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2129 1.2927 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6996 0.2220 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6401 1.6683 -0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1470 0.8541 1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1053 -0.9165 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4060 -0.0585 1.0905 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