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
    3.1867    0.5685   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -0.1989    0.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321   -1.0740    1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.0264    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2908   -0.5586    0.6784 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894   -0.0421    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553    1.3174   -0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    0.9572   -0.8226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037   -0.9179   -1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    0.0334    1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    1.5333   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755   -0.0278   -1.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0436    0.8507    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5523   -1.2411    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7358   -1.6234    1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373    2.0614    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6554    1.6683   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8910   -1.1645   -1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -0.4158   -2.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686   -1.8909   -1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8402   -0.9558    1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4789    0.7598    1.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5402    0.3345    0.4398 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