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
    2.8689    1.0796   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2058   -0.2301   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -1.2638   -0.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -0.3695   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0489    0.6117   -0.0535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079    0.1820    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3706   -1.1440   -0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -1.5201   -0.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9089   -0.0103    1.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512    1.0816   -0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.1695   -0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    1.9374   -0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3101    1.1250    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995   -1.1753   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4799   -2.2169   -0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429   -1.0740   -1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818   -1.8564   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8173   -0.6491    1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263   -0.5671    2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387    0.9429    1.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344    1.5553   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7918    1.8735   -1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139    0.5179   -1.5478 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