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
   -1.5264   -1.1926   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9263   -0.1816    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871    0.3340    1.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -0.7930    0.9871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2664    0.1521    1.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526    0.4407   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706    0.6979   -1.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4035    1.0463   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    1.1541   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0324   -0.1714   -0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339   -1.1493   -0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1616   -1.0186   -1.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2563   -2.2387   -0.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -0.4611    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6965    0.9312    0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624    0.9812    1.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487   -1.6038    0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0406   -1.2162    1.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    1.4246   -1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700    1.7988    0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    2.1049   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5712   -1.0393   -0.9325 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