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
   -1.6705   -0.1495    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466   -0.9353    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3733   -1.3693    0.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -0.3697   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1184    0.1596   -1.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232    0.9023   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173   -0.3127   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994    0.6602    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3947    0.4076    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1446   -0.7788   -0.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2618   -1.8403    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904   -0.2795    1.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128    1.5772   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.4108    0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3996   -0.5795   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    1.4970    0.8896 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