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
   -2.1769    0.9227   -0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9514    0.0669    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -1.3369    0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1011    0.7124    1.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -0.0285    1.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219   -0.0590    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842    0.3993   -1.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -0.0249   -1.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -0.8997    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1903    0.4975    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2396    1.2211   -1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592    1.8367    0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1032    0.3491    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549   -1.5250    1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7574   -2.1125   -0.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3906   -1.4848    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1616    1.7299    0.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    0.7431    2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1832   -1.0429   -1.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790    0.6642   -1.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862   -1.8513   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723    1.2227    0.4159 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