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
   -1.9420   -0.6097    1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8886    0.0483    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    1.0958   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1459   -0.9841   -0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -0.4894   -1.1393 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    0.1582   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    1.2738    0.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437    0.7713    1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    0.0478   -0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340   -0.5892    0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9445   -0.1307    0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0758   -1.6725    0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -0.5737    2.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775    1.6207   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827    1.8502    0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    0.7158   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079   -1.4514   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2039   -1.7678    0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6888    0.0767    1.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    1.5819    1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055    0.2220   -0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -1.1940    1.6963 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