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
    2.8664    0.4798    0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2093   -0.0059   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   -0.3399   -1.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7590   -0.0950   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632    0.2139    0.4503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314   -0.0179    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2460    0.0637   -1.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315   -0.5369   -1.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    1.1389    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9677   -1.3442    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877   -0.0056    1.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    1.5733    0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    0.2454    0.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -0.7016   -2.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -0.2942   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9496   -0.6237   -2.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763    1.0926   -1.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3796    0.7481    0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2677    1.9759   -0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0566    1.5690    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.8261    1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0337   -1.2370    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211   -2.0725   -0.4346 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