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
   -2.7965   -1.1332   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    0.1673    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314    1.1463    0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7535    0.3455    0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0606   -0.5432   -0.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -0.0675   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    1.4256   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0443    1.4781    0.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993   -0.6917    0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0346   -0.3895   -1.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -1.6561   -0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9113   -1.8177    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725   -0.9912   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906    2.0725    1.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    1.0123    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924    1.7537    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586    1.9969   -0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322   -1.5130    0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645   -1.1080    1.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8129    0.0582    1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631   -0.6435   -2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6649   -1.3002   -1.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    0.3985   -1.9269 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