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
    2.6287   -1.3645    0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1585   -0.0063    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    0.9674    0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7477    0.2475    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1880   -0.6300    0.2597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352    0.0032   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    1.2086   -0.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148    1.5016   -0.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -0.9151   -1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.3735    1.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626   -2.1668    0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349   -1.4850    1.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6978   -1.5224    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    0.7775    0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    1.9526    0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738    2.0625   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8139    0.9997   -1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0457   -0.3833   -1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4607   -1.0960   -1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -1.8980   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5296   -0.5512    1.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6854    1.0801    1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846    0.8446    0.7799 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