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
   -3.2247    0.0359    0.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1522   -0.2422   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818   -0.6694   -1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490   -0.0471    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2441   -0.2527   -0.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    0.0536   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0831   -0.0100    1.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2914    0.4052    1.3283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944    1.4520   -0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914   -0.8842   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4284    1.1241    0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1410   -0.4741    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467   -0.4100    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908   -0.8596   -2.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5294   -0.8112   -1.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -1.0812    1.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609    0.6437    2.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819    1.7407    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379    1.3886   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940    2.1847   -0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -0.5792   -1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -1.9126   -0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320   -0.7950    0.4679 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