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
   -2.0827   -0.5368    0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.2860    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3903    1.6542   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610    0.3889    1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -0.8802    1.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7017   -0.8170    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370   -0.3129   -1.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2326   -0.4038   -1.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9221   -1.5811    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968   -0.1987    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7645   -1.4978    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319   -0.7512   -0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6428    0.0995    1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    2.3535    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    1.9779   -1.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987    1.6350   -0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2550    0.6464    2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794    1.1542    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076   -1.4511   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5687    0.1516   -2.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163   -2.4682   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    0.5514    0.7718 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