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
   -1.4138    1.4624   -0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9634    0.0153    0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474   -0.8905    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481   -0.0334    1.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    0.7384    0.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868    0.0140   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358   -0.9788   -0.6427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1628   -0.4465   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0995   -0.5156    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713    0.3765   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5514    2.1438   -0.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821    1.5825   -1.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0677    1.6571    0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503   -0.5851    1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -1.9351    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7410   -0.8248   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    0.3651    2.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846   -1.0882    1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226    0.4241   -1.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6588   -1.2473   -1.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -1.1384    1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7329    0.9045   -1.2038 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