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

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
    3.2105   -0.6516   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1979    0.2023    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5734    1.1984    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421   -0.0426    0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2145    0.6056    0.5421 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4845    0.0653    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0895   -0.7708   -1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485   -1.0612   -0.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974    1.2048   -0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -0.8355    1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228   -0.0547   -1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231   -1.0846    0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982   -1.5214   -0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    1.4068    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8814    1.8584    1.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287   -1.6698   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724   -0.2199   -2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4434    0.8561   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304    1.6531   -1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3163    1.9599    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2871   -0.2301    2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0543   -1.2202    0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885   -1.6484    1.3847 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