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
    3.2064    0.6210    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2032   -0.0678   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6038   -0.7753   -1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811    0.0674   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130   -0.4733   -0.8614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4822   -0.1393   -0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0409    0.2986    1.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    0.7840    0.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164   -1.3005   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1363    1.0360   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187    0.2200    0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1609    1.7192    0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9135    0.4052    1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258   -0.8716   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543   -1.2706   -2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9014   -0.5729    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078    1.0712    1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9008   -2.2731   -0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0831   -1.1292    0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704   -1.3036   -1.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6634    0.6785   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3554    1.7847   -1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425    1.4915   -0.1583 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