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
    3.1641    0.6986    0.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2068    0.0011   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   -0.7194   -1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7548    0.1060    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -0.4616   -0.6501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4610   -0.1322   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998    0.3007    1.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785    0.8358    1.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508   -1.3743   -0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1515    0.9242   -0.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264   -0.0999    1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306    1.2548    0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263    1.3660    1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597   -1.2345   -1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7120   -0.7928   -1.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259   -0.5666    1.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    1.1273    1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8952   -2.1317    0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3306   -1.0009    0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185   -1.7521   -1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3775    1.8398   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1485    0.5660   -1.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    1.2456   -1.7890 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