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
    1.8711   -1.5294    1.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039   -0.6069    0.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081   -0.2641    0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8014   -0.0886    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4264   -0.3444    0.4064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2805    0.3515   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152    1.4033   -1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8764    0.7814   -0.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4366    1.0262    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8599   -0.5223   -1.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7201   -2.2471    1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -2.1073    1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270   -0.9389    2.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0910   -0.6265    0.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    0.4014   -0.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254    1.5714   -2.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    2.3182   -0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0857    1.4592   -0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9889    1.7796    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9481    0.2806    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439   -0.8339   -2.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185   -1.3665   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393    0.1031   -2.0992 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