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
    2.7841    0.5529   -1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135    0.5827    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8261    0.9360    1.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056    0.2315    0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655   -0.1237   -0.6519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4010   -0.3996   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361   -0.4601    1.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0079    0.2297    1.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3055    0.7604   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911   -1.7044   -0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1878    1.5225   -1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6596   -0.1596   -1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0926    0.1782   -1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    0.9640    2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8528    1.1963    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742   -1.5080    1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0354    0.0859    1.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787    0.9854   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381    1.6633    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2959    0.6316   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5782   -2.1793    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215   -2.3829   -0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.6030   -1.6915 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