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
    2.8618   -0.6481   -0.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2304    0.1995    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832    0.9332    0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479    0.2146    0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524   -0.4250   -0.6145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004   -0.1437   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    0.3900    1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0178    0.9619    1.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192    0.8962   -1.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3059   -1.3462   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -1.7191   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590   -0.5919   -1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -0.2872   -1.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    1.5440    1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9807    0.9308    0.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190   -0.4669    1.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570    1.1247    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582    1.3473   -0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1546    0.3252   -2.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298    1.6222   -1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5357   -1.6557   -1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2778   -1.0174    0.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533   -2.1883    0.2875 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