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
   -1.1344    0.0168    1.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8264   -0.0926    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2006   -0.3073   -0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932    1.1954   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9509    1.1515   -0.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7681    0.1443   -0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032   -1.0838   -0.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -1.2946   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    0.2718   -0.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8961    0.3436    0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.2428    2.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8381    0.8834    1.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6239   -0.9280    1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6519    0.6992   -0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7922   -1.0245    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0346   -0.7110   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555    1.9453    0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761    1.6889   -1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507   -2.0602   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1821   -1.8474    0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9206    0.2943   -1.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    0.4721    1.3324 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