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
    3.1722   -0.0005   -0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1874   -0.3433    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079   -0.9152    1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753   -0.0370   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1704   -0.3018    0.7056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545    0.1079    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407    0.9749   -0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829    0.5614   -1.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2751   -1.0981   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986    0.9873    1.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1978    0.1069   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157    0.9341   -1.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1128   -0.7927   -1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -1.1219    1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9086   -1.1852    1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453    2.0387   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.6097   -1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1757   -0.8357   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5837   -1.7374   -0.7989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794   -1.6222    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057    2.0308    1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9409    0.6805    2.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2778    0.9588    0.9795 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