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
    2.7517    0.9739    0.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023   -0.0092   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061   -0.6893   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7558   -0.1825   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    0.4428    0.4895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563   -0.0052    0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422   -1.3526   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0943   -1.0804   -1.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0669    0.8750   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3293   -0.0759    1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452    0.8831    0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    1.9871    0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543    0.8814    1.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -1.3999   -1.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609   -0.5396   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657   -2.1408    0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8553   -1.6297   -1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129    1.2927   -1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6996    0.2220   -1.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    1.6683   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1470    0.8541    1.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1053   -0.9165    2.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4060   -0.0585    1.0905 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