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
   -1.6649    0.1390    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -0.2979   -1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962    0.6465   -1.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9661    0.6044   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700    1.0074    1.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067    0.0101    1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    0.6248   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126   -0.5987    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8574    1.2223   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629   -0.4611    0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168   -1.3088   -1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.2857   -2.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -0.9559    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2306    0.1258    2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418    1.1881   -0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123   -1.6603    0.2627 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