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
    3.0825    1.1804   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319    0.1356    0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102   -0.8081    1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652    0.1669    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -0.6437    0.6057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558   -0.3066    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2179    0.7067   -0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950    1.1317   -0.5738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2573    0.3311    1.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -1.5299   -0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900    1.3949    0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    2.1060   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143    0.8071   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -0.8253    1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296   -1.5928    1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703    1.5887   -0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2113    0.2729   -1.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141   -0.2476    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    0.1822    1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0680    1.4082    1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5589   -2.1725   -0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895   -1.1789   -0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134   -2.1070    0.5858 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