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
    3.1859    0.7220   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315   -0.0713    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442   -0.9099    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    0.0497    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -0.5783    0.5580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726   -0.1686   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415    0.3222   -1.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866    0.9125   -0.9676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0844    0.9729    0.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4813   -1.2622   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    0.1691   -1.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0279    0.9112    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553    1.6929   -0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821   -0.9991    1.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6805   -1.4999    1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804    1.0442   -1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -0.5432   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8111    1.5581    0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2176    1.6396    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804    0.5742    1.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2042   -1.2971    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0017   -2.2302   -0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0397   -1.0086   -1.2521 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