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
2.8482 -0.1452 -1.6712 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0803 0.4281 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 1.3281 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 -0.0037 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0698 0.4060 0.6773 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3462 -0.2676 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0194 -1.4760 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0457 -0.9444 -1.0165 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3744 0.5442 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8687 -0.6570 1.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3422 0.6449 -2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 -0.6302 -2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 -0.9223 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6568 1.6331 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1318 1.7572 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8260 -1.7616 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 -2.3121 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2511 -0.1242 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7365 1.4108 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9655 0.8332 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1144 -0.4317 2.7598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1826 -1.7353 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7749 -0.0768 2.2233 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