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
    3.1439    0.3551    0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0876   -0.5376    0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -1.7880    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7330   -0.0132    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612   -0.7114   -0.3292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    0.1474   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    1.5074   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    1.2839    0.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2302   -0.1747   -1.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2519    0.0051    0.8534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199    0.2031    2.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8745    1.3974    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1318    0.0763    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6065   -2.4241   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436   -2.2077    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4687    1.8080   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190    2.2229    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562   -0.8761   -1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179    0.7098   -2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337   -0.7295   -2.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3387    0.0427    0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685    0.7294    1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0584   -1.0262    1.2546 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