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
    3.2057   -0.3699    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663    0.2859   -0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    1.1283   -1.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606    0.0009   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    0.4745   -0.6797 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -0.0676   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178   -0.5956    1.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3395   -0.8922    0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -1.1468   -0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4287    1.1016    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979   -0.2898   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662   -1.4236    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    0.1691    1.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    1.6529   -1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472    1.3263   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806   -1.5117    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986    0.1574    2.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594   -1.4713   -1.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3322   -1.9962   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0680   -0.7508   -1.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4719    0.7590    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0713    1.7154    0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676    1.7441   -0.8100 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