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
    3.1304   -0.8468    0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1482    0.2237    0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5477    1.4875    0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -0.0763    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    0.7926    0.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446    0.1352   -0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1967   -1.2198    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2021   -1.3732    0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -0.0219   -1.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6223    0.8144    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -1.4160   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7083   -1.6132    1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0718   -0.4304    1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5775    1.7429    0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    2.3189    0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906   -1.1513    1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -2.0245    0.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499    0.9058   -1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435   -0.1923   -2.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3131   -0.9184   -1.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989    0.8056    1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5311    0.2341    0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7340    1.8232    0.1011 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