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
   -2.3189   -0.6705    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9713   -0.0480    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0637    1.4562    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2086   -0.4629   -1.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713    0.2297   -1.2003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7431    0.0497   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951    0.1174    1.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010   -0.5425    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302    0.8205   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -0.5740   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -0.2960   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2318   -1.7712   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8733   -0.3847    0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390    1.7088    1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0610    1.9213    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185    1.8904   -0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7642   -0.2100   -2.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -1.5655   -1.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5945   -0.3199    2.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0173   -1.6502    1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7288   -0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7259   -1.4273   -0.1265 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