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
    3.1467   -0.4207   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222    0.2863    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5287    1.1930    0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.0466   -0.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2332    0.5291    0.5191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024   -0.0166    0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -0.6290   -1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578   -0.9954   -1.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -1.0675    1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233    1.0942    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -0.6950   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7646   -1.3807   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    0.2380   -1.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215    1.7271    1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5692    1.4086    0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8456   -1.4820   -1.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    0.1733   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001   -1.5963    0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887   -0.5973    2.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -1.7924    1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5131    0.6660   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5894    1.5607    1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749    1.8433   -0.6523 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