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
    1.3055    1.2603    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9852    0.0933    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339   -0.5323   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675   -0.8896    0.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0684   -0.2496    1.1238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7952   -0.3593   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9103   -0.5437   -1.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248    0.5075   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0961   -1.0140   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9924    0.4575   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1770    1.8421    0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577    0.8168    1.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    1.9078    1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901   -1.3334    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152    0.2748   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0260   -0.9474   -1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -1.7786    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662   -1.0885    1.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951    0.6161   -2.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863    1.4424   -0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259   -1.7738   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225    1.2915   -0.4333 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