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
   -1.6040   -0.1687    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059    0.3883   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650   -0.3657   -1.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0696   -0.1843   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5068   -0.7751    1.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -0.6010    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978    0.9439    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -0.2637   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1977   -1.0340   -0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826    0.6029    0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3720    0.2731   -2.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5420    1.4515   -1.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2553   -1.5491    1.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097    0.1578    2.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    2.0103    0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177   -0.8862   -0.3167 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