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
   -1.8619   -0.6570   -1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227   -0.1698   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847    0.3777    0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0658    0.9721   -0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.3578    0.2114 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680    0.3127    0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -0.8484    0.8259 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204   -1.2787    0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939    0.3426   -0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608    0.6179    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5369   -1.4110   -0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.2176   -1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2216   -1.0976   -2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    1.4137    0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5823   -0.2254    1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0298    0.4659    1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604    1.7970   -1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545    0.5260   -1.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3676   -1.7763   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5184   -2.0714    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368    0.2756   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6924    0.8590    1.8268 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