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
    2.8493    0.6542   -0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924   -0.2863   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9424   -1.1456    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503   -0.2659    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    0.5418   -0.4265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311    0.2790    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.4279    1.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412   -1.1078    1.0269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2729    1.4949    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068   -0.7728   -0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    0.2340   -1.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8701    0.9376   -0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    1.6120   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -1.8520    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.2296    0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876   -1.1092    1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9193    0.3050    2.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0830    2.2895   -0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1717    1.8594    1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3492    1.1711    0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8566   -0.6152   -1.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7324   -1.7948   -0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1817   -0.7712   -0.7110 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