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
   -1.6958   -1.0098    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8962    0.2000   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879    1.3457   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341   -0.1882   -1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064   -1.2566   -0.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6129   -0.7732    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -0.3987    1.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0142    0.6580    1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919    0.0503    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745   -1.2320    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6818   -0.9180   -0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444   -1.9505   -0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947   -1.1267    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8563    1.0395   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    2.1810    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795    1.7839   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523    0.6644   -1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5784   -0.6043   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232    1.0869    1.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712    1.4529    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472    0.9485   -0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -1.9531    0.8349 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