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
    3.2194   -0.7477   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370    0.2212   -0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661    1.3298   -1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484   -0.0436   -0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2587    0.7064   -0.4654 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4845    0.1256    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8825   -0.8547    1.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3182   -1.1759    0.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3452    1.1177    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2310   -0.6756   -0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016   -1.7661   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   -0.5563   -0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474   -0.7079    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7251    2.0931   -1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    1.5527   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -0.3378    2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5474   -1.7324    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7051    1.9260    1.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    1.6175    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9331    0.6583    1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3316   -1.7554   -0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7150   -0.6973   -1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2763   -0.2976   -1.1216 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