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
    2.8607   -0.9751   -0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2086    0.1798    0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9892    1.0727    0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7594    0.3199    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.5179   -0.2149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.1045    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980    1.1183    0.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0945    1.3636    0.9332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1151    0.2102   -1.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327   -1.1924    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655   -0.6043   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1764   -1.8027   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7433   -1.2912    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516    0.9480    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705    1.9230    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6095    0.8778    1.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8237    1.9963    0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    0.7278   -1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -0.7609   -1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0157    0.8103   -1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6479   -1.8343   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362   -0.6710    1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -1.7935    1.3760 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