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
   -1.0901   -1.5573   -0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376   -0.2044   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2655    0.3549    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -0.4136    0.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    0.6873    1.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7287    0.6291    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0595    0.6314   -1.1906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    0.8125   -1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480    1.3007    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -0.0611    0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141   -2.3777   -0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352   -1.7544   -1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721   -1.5783   -1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0862   -0.3790    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338    0.7988    1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881    1.2105   -0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5418   -0.5538    1.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -1.3036    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470    0.6895   -2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130    1.8268   -0.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    2.2095    0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5909   -0.9679    0.2018 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