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
    2.6319    1.3467    0.7538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    0.0592    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225   -0.8192   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874   -0.2080   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863    0.5696    0.2507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4324   -0.0441   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -1.0535   -1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824   -1.3878   -0.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979   -0.6902    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377    0.9262   -0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764    2.0423    0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586    1.1938    1.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386    1.8358    0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1685   -0.6011   -0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831   -1.7666   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -1.9300   -1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -0.5092   -2.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031   -1.5089    0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580   -1.0865    1.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    0.1179    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7948    0.6067   -1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    1.9648   -0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3530    0.9421   -0.0398 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