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
    2.7296    1.3686    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    0.0693   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0391   -0.8375   -0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7640   -0.2302   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1609    0.5662    0.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -0.0560    0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187   -1.5193    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1852   -1.4356   -0.5452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279    0.4404   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    0.2929    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4121    1.1500    1.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9394    2.0353    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    1.8386   -0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704   -1.7850   -0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0944   -0.6452   -0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8091   -2.1225   -0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -1.8847    1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8363   -0.2311   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3547    1.4788   -1.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867    0.4624   -1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2857    1.3393    1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3175   -0.4259    2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4366    0.1310    0.7770 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