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
   -1.2495    1.2891    0.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9316    0.0335   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928   -0.5699   -0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    0.2751   -1.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.8738   -0.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    0.1160    0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893   -0.2294    1.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789   -0.9481    0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041   -0.6889   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191    0.5501    0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7589    1.9855   -0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    1.7176    0.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.9593    1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9084    0.2388   -1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7017   -1.0637   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -1.3197   -1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334    0.9512   -2.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4221   -0.7203   -1.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146   -1.8115    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9636   -1.2790    1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653   -1.5090   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525    1.1494    1.2288 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