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
    2.7880    0.3727    1.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    0.6695    0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8825    1.1757   -0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7285    0.4134   -0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -0.0794    0.6186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -0.1715   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0797   -0.0812   -1.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    0.6847   -1.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146   -1.4987    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    0.9404    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5634    1.1584    1.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716    0.3518    2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3419   -0.5952    1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9320    1.3954   -0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4540    1.4111   -1.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9306   -1.0640   -1.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8959    0.4613   -1.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730   -1.3610    1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533   -2.2822    0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7843   -1.7397   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3222    0.7143   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4602    0.8785    1.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9850    1.9258    0.0569 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