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
   -1.9737    1.0432   -0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9511   -0.0004   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -1.2146    0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0819   -0.4164   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0318    0.4121   -1.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8482    0.1110   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    0.0991    1.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0952    0.6356    0.9982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    0.6755   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9940   -0.7747   -0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5997    0.6895   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4213    1.9457   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560    1.3045    0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -1.3488   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952   -2.1564    0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422   -1.1286    1.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5941   -0.3657   -2.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898   -1.4506   -1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186    1.7261    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5434    0.5245    2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    1.3796   -0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387   -1.6901   -0.3862 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