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
    2.7398   -0.2985    0.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    0.2927   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    0.8874   -1.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.1988   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0939   -0.3466    0.3160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201   -0.2327   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.0777   -1.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0714    0.7143   -1.6055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837   -1.4324    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    1.0505    0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -1.3354    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -0.2698    0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387    0.2873    1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9914    0.9355   -1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    1.3046   -2.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9020    0.4137   -2.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8369   -1.0908   -2.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692   -2.0995   -0.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8784   -2.0402    0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -1.0530    0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715    1.5459    1.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    1.8005   -0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9934    0.8456    0.7964 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