Monomers

4,8-Dioxaspiro[2.5]oct-1-ene

Identifiers

IUPAC name
4,8-dioxaspiro[2.5]oct-1-ene
InchI
InChI=1S/C6H8O2/c1-4-7-6(2-3-6)8-5-1/h2-3H,1,4-5H2
InchI Key
HIQNFQSASCLYLW-UHFFFAOYSA-N
SMILES
C1COC2(OC1)C=C2
Canonical SMILES
C1COC2(C=C2)OC1
Isomeric SMILES
C1COC2(C=C2)OC1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
18.46
MolLogP
0.6894
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0

MOL File


     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4209    0.2935   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7097    0.9870    0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3434    0.1303    1.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -0.2990   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2529   -1.3266   -0.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0799   -1.1764   -0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.3985    0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8279    0.4994   -0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103    0.3818   -0.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0349    0.7198   -1.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3853    1.0648    1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2825    1.9465    0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0684   -1.4430    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -1.8360   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580   -0.8144    0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0745    1.2707   -1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  6  1  1  0
  8  4  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers