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
Resources
cid=

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
    3.2813   -0.4358   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799    0.4137    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4928    1.5747    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7699   -0.0216   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244    0.6529    0.3551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -0.0241    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0883   -1.1119   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3117   -1.2065   -0.6199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0226   -0.6490    1.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111    0.8560   -0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7477   -1.0620    0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8147   -1.1155   -1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925    0.2218   -1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485    2.2517    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    1.9035    0.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163   -0.8361   -1.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646   -2.0757   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -1.6733    1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119   -0.7169    1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110   -0.1054    2.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2573    1.1575    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0066    1.7115   -0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0015    0.2905   -1.3520 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