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
    2.7417   -0.9504   -0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    0.0146    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842    0.7271    0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131    0.1653    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -0.4607   -0.3151 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352   -0.0378    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165    0.7583    1.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2661    1.0535    1.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753    0.8574   -0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3267   -1.2179    0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -0.4407   -1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9589   -1.6738   -1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821   -1.5614   -0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    1.4518    1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436    0.6054    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120    0.1820    2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341    1.7368    1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8447    0.2879   -1.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    1.5858   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4025    1.3371   -1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -0.8976    1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462   -1.4062   -0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -2.1165    0.7822 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