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
   -1.8947    0.8153   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -0.1048    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -1.0154    1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    0.6564    0.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675   -0.1861    1.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8231    0.0585   -0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738   -0.0159   -1.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491   -0.9059   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    1.0645   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.3590   -0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.7243   -0.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4767    1.0702   -1.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406    0.2592   -0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -1.8913    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912   -0.3904    1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9971   -1.3342    1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886    1.6115    0.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236    0.8306    2.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3436   -1.7471   -0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7071   -1.1703   -1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3446    2.0121   -0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0215   -0.9823   -0.6244 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