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
2.8689 1.0796 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2058 -0.2301 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9397 -1.2638 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7589 -0.3695 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0489 0.6117 -0.0535 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 0.1820 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3706 -1.1440 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -1.5201 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9089 -0.0103 1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3512 1.0816 -0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7564 1.1695 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2258 1.9374 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3101 1.1250 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9995 -1.1753 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4799 -2.2169 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 -1.0740 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9818 -1.8564 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8173 -0.6491 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1263 -0.5671 2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1387 0.9429 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0344 1.5553 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7918 1.8735 -1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9139 0.5179 -1.5478 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