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
    3.2104    0.5476    0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140   -0.1404   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953   -0.9818   -0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    0.1010    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -0.4409   -0.5579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769   -0.0104   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1790    1.1844    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.9457    1.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3587    0.3122   -1.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931   -1.1367    0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259    1.5716    0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453   -0.0438    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    0.5839    1.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468   -1.1651   -1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9029   -1.5022   -1.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525    1.1474    1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3245    2.1476    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093    1.3972   -1.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3432   -0.2299   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9013   -0.0769   -2.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300   -1.5536    1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080   -1.9113   -0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9356   -0.7456    1.2570 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