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
   -1.2605    1.0579   -0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523   -0.3848   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0653   -1.2583   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316   -0.6001    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0170    0.0956    0.9447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462    0.5002   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843    0.2111   -1.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081   -0.7336   -1.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632    1.8254   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254    0.7520   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418    1.7459   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409    1.1959   -0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556    1.3084   -1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7832   -2.3380   -0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7509   -1.0128    0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.9752   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100   -1.7028    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7868   -0.4129    1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6112   -1.7421   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979   -0.7835   -2.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327    2.8987   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3531    0.0757 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