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
    3.1071    0.3688   -1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2149    0.0017   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7666   -0.3947    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    0.0701   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1289   -0.2141    0.7639 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4569   -0.0166    0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2112    0.8384   -0.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    0.4760   -1.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489    0.7577    1.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305   -1.3246   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745    0.7972   -1.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7863    1.1703   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821   -0.5026   -1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864   -0.6790    1.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369   -0.4454    1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    0.5823   -1.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104    1.9242   -0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3926    0.2016    2.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765    1.7670    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    0.7533    0.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340   -2.1378    0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3467   -1.3789   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535   -1.4558    0.5002 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