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
    3.2214   -0.1875   -0.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -0.2859    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020   -0.5564    1.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8028   -0.0729    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1686   -0.1235    0.8956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197    0.1288    0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0686    0.6633   -1.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2717    0.2204   -1.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2604   -1.1467    0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2743    1.1277    1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971    0.6859   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2377    0.0498   -0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933   -1.1291   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8559   -0.6203    2.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -0.7162    1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    0.1646   -1.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359    1.7684   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -1.9555   -0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -0.8602   -0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5706   -1.4044    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913    0.7483    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350    1.4567    1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204    2.0448    0.3836 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