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
    2.7901    0.6189   -1.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    0.1008    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669   -0.2009    1.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884   -0.0707    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1022    0.1966   -0.6085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4312   -0.0839   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -0.2378    1.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1474   -0.5438    1.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3677    1.0813   -0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165   -1.3268   -0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587    0.3755   -2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9541    1.7190   -1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7909    0.1747   -1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7084   -0.5784    2.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1213   -0.0714    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -1.0962    1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769    0.6974    1.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4193    0.7320   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382    1.5205   -1.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196    1.8752    0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0777   -1.3905   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392   -2.1909   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555   -1.3005   -1.7998 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