Monomers

6,6-Dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

Identifiers

IUPAC name
6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
InchI
InChI=1S/C8H12O2/c1-7(2)5-9-8(3-4-8)10-6-7/h3-4H,5-6H2,1-2H3
InchI Key
AINMINDCBBSFAO-UHFFFAOYSA-N
SMILES
CC1(C)COC2(OC1)C=C2
Canonical SMILES
CC1(COC2(C=C2)OC1)C
Isomeric SMILES
CC1(COC2(C=C2)OC1)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H12O2
Heavy Atom Count
10
Molecular Weight
140.182
Exact Molecular Weight
140.0837
Valence Electrons
56
Radical Electrons
0
tPSA
18.46
MolLogP
1.3255
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

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.1335   -0.6204    0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9607   -0.0619    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4159    1.0201   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0342    0.6360    1.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0213    1.1266    0.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816    0.0469   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1418   -1.0955   -0.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968   -1.1057   -0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489    0.2540   -0.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0646   -0.0769    0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9781    0.1189    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8663   -0.9022    1.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -1.5724    0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    1.6934   -0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9244    0.5944   -1.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    1.6157   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4349    1.4296    1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193   -0.1330    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156   -1.0734   -1.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5764   -2.1059   -0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    0.4913   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5729   -0.2795    1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
  8  2  1  0
 10  6  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers