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
   -1.5624    0.7725   -1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -0.0341    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -0.5992    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244   -1.1350   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0824   -0.5366   -0.9464 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422   -0.2357    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815   -0.1415    1.2785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093    0.7868    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8153    0.8924    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318   -0.4839    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632    0.0534   -1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    1.4948   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265    1.2031   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6579   -1.5815    1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9811   -0.6632    0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1371    0.0628    1.8599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095   -1.9823    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346   -1.4546   -1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973    1.2674    1.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453    1.5247    0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284    1.8890    0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1079   -1.0993    0.3947 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