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
    3.2698   -0.5378    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1402    0.3553    0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.5191    0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7594    0.0068    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    0.7073    0.3208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664   -0.0032   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -0.9954   -1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973   -1.2121   -0.5106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.9577   -0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1800   -0.7691    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -1.5083   -0.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9537   -0.6906    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.1086   -0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3892    1.8341    1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5993    2.2194    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8066   -0.5751   -2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296   -1.9298   -1.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225    1.7038   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315    0.4662   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936    1.4938   -1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -1.1310    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6201   -1.6642    1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849   -0.1384    1.8239 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