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
    2.8005   -1.1398   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    0.1981   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224    1.2685   -0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258    0.3212   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.6570    0.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168   -0.1140    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    1.2693    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0611    1.5570    0.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1907   -0.1673   -1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -0.8939    1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2627   -1.8973    0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -1.4816   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8557   -1.1358    0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790    1.1499   -0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364    2.2741   -0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186    1.3039    1.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8962    2.0229    0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8223    0.5922   -1.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625   -0.1111   -0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9859   -1.1551   -1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -1.0854    2.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -1.8367    0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9821   -0.2821    1.7099 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