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
    3.1422   -0.8711   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015    0.0532    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761    1.0107    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540   -0.1029   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676    0.6440    0.4828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    0.1848    0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -1.2493   -0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1600   -1.0828   -0.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    1.0067   -1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4726    0.1725    1.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905   -1.3349   -1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -1.6667    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617   -0.2880   -0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9997    1.6775    1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    1.1402    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932   -1.8771    0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -1.6135   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486    0.8198   -2.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790    2.0861   -0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0445    0.7883   -1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862   -0.3129    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7871    1.1844    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3691   -0.3689    0.8352 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