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
    3.2166    0.5991    0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201    0.1146   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934   -0.3295   -1.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726    0.1063    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657   -0.2949   -0.6880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4741   -0.1718   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411    0.0101    1.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691    0.5297    1.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    1.0262   -0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3185   -1.3978   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9005    1.3655    0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -0.3105    1.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6525    1.0082    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6519   -0.3432   -1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225   -0.6967   -2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    0.8053    1.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1651   -0.9406    1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    1.4371   -1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1972    0.7645   -1.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2459    1.8179    0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6237   -1.5147   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608   -2.3143    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093   -1.2706    0.4106 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