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
    2.7480   -1.2499    0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2313    0.0345    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0717    1.0058   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    0.2558    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1668   -0.5730    0.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602   -0.0344   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1038    1.1754   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.4242   -0.4699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1953   -1.0693   -0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454    0.4158    1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0918   -1.6886    1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8168   -1.9493   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628   -1.1116    1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414    0.9275    0.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    1.9671   -0.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7911    2.0188   -0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362    0.8563   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0093   -0.5885   -1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929   -1.8219   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674   -1.5691   -1.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002    1.4851    1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0668   -0.2029    2.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3363    0.2921    0.8426 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