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
    2.5383    1.8026    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    0.3610    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1702   -0.5123    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123   -0.0936    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490    0.6128    0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4257   -0.1782   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8623   -1.5508   -0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357   -1.4183    0.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2229   -0.2749    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2873    0.2710   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    1.9842    1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    2.4392    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0569    2.0647   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1804   -0.1578    0.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9182   -1.5601    0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -2.3160    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860   -1.7207   -1.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -1.2279    1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289   -0.1989    1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9187    0.6035    1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370   -0.2682   -2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3353   -0.0297   -1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3014    1.3684   -1.4480 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