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
    3.3346   -0.3430   -0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9867   -0.9237   -0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9038   -2.1486   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -0.1569   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -0.5711   -0.2381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969    0.3910    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889    1.4274    0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7163    1.1264    0.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4127   -0.2292    1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100    1.0520   -0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290    0.0833    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258    0.5346   -0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.0660   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9127   -2.5830   -1.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -2.7666   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8185    2.4533    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941    1.3749    1.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581   -1.1390    1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3201   -0.5171    0.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6027    0.4685    1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408    0.2773   -1.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611    1.9390   -1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    1.3163   -0.6425 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