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
   -1.7279   -0.4596    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0841    0.9201    0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    0.6697    1.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277    0.1858    0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607   -0.6818   -0.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494   -1.4090   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938    0.0762    0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    1.2409   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4049   -0.4062   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115   -0.6769    1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.1971   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556    1.6518    0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2277   -1.8383    0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8443   -2.2506   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026   -0.3515    0.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518    2.1321   -0.7135 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