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
   -2.0797   -1.1360   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252   -0.2080    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4013    1.2243    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -0.3099   -1.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    0.7132   -1.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789    0.4498    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946    0.4587    1.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -0.5228    1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562   -0.1495   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391    1.2501    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362   -0.7484    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201   -1.1078   -1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8541   -2.1819    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    1.2208    1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    1.9063    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0411    1.5030   -0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4461   -1.3067   -1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -0.2900   -2.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -1.5124    1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027   -0.3801    2.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420   -1.0064   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5514    2.1337    0.0758 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