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
    3.2327    0.2980    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -0.5494    0.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2498   -1.7083    1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213   -0.0885    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073   -0.6928    0.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733    0.1128   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864    1.5042   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766    1.1526   -0.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7423   -0.3285   -1.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7129    0.0715    0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868    1.3211    0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1743   -0.1605    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    0.4561   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2353   -2.0395    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4415   -2.4009    1.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2218    2.1315   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834    1.9624    0.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.4914   -2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8224   -0.5395   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2046   -1.2776   -1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5348    0.5026   -0.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797   -0.9514    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300    0.7328    1.4559 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