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
   -1.3225   -0.5031   -1.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403    0.0415   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658    0.7536    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3843   -1.0302    0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9518   -1.2768    0.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710   -0.1943    0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    1.0106    0.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195    1.0910   -0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -0.2859   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675   -0.1951    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2858   -1.0209   -1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -1.1398   -1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877    0.3906   -2.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7669    1.4685    1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483   -0.0244    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619    1.3256   -0.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -1.9834    0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.8655    1.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1817    2.1163   -0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286    0.8521   -1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1314   -0.3594   -1.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940   -0.1709    1.4501 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