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
    3.1094    0.5181   -0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1929    0.0118    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809   -0.4932    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    0.0777   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1721   -0.3340    0.7135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -0.1069    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1911    0.0371   -1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332    0.5908   -1.2529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010    1.1463    0.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3672   -1.3161    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6497   -0.3321   -1.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    1.2163   -0.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    1.0905   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284   -0.8644    1.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7366   -0.5380    1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0802   -0.9613   -1.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8477    0.7200   -1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3603    1.6313    1.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538    1.8914   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959    0.8837    1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170   -1.7196    1.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441   -1.0390    0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -2.1105   -0.3216 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