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
    2.8097    1.2307   -0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -0.0654    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012   -1.0471    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7608   -0.2528    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1190    0.6242   -0.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164    0.0667   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1611   -1.4238    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -1.4200    0.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3183    0.3535   -1.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    0.5614    1.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0519    1.8125   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1818    1.7852    0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7013    1.0705   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916   -1.9783    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0653   -0.9305    0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8555   -1.9300    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1462   -1.8623   -0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6527    0.6052   -2.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9041   -0.5746   -1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9656    1.2163   -0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5922    0.2840    2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484    1.6744    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1622    0.2002    1.1589 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