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
    2.9772   -0.2597    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146    0.8199   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    2.0038   -0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5782    0.5557   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1008   -0.5609    0.2173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3408   -0.5157    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406    0.7002   -0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    1.4511   -0.4660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -0.3005    1.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.7869   -0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2734   -0.7394   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619   -1.0171    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8408    0.1107    0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6922    2.7603   -0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4509    2.2024   -0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4520    1.3179   -0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738    0.4497   -1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8647   -0.2040    1.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3906   -1.1799    2.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506    0.6318    2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493   -1.6486   -1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4962   -2.2767    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -2.5142   -0.5596 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