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
    3.1708    1.0467    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -0.0736    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816   -1.2850   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7685    0.1300    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360   -0.7733   -0.1161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4720   -0.2459   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2177    1.2345   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1055    1.3344    0.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1011   -0.4206    1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666   -0.7549   -1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4429    1.5426   -0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101    1.8324    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031    0.7483    0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0075   -2.1413   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7325   -1.4631   -0.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614    1.8296    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020    1.5080   -1.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397    0.5546    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3797   -0.9218    1.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0053   -1.0503    1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5371   -1.8322   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286   -0.6291   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3084   -0.1701   -1.1177 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