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
   -1.6288   -0.7364    0.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9376    0.1451   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388    0.6793   -1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306   -0.7736   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095   -1.2000    0.1868 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777   -0.1370    0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    1.0602    0.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1268    1.1921    0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9531   -0.1646   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -0.4378    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750   -0.9467    0.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847   -0.2557    1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -1.7160    1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    1.2472   -1.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4539   -0.1853   -1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6653    1.3406   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865   -1.6145   -1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407   -0.1663   -1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274    2.1819    0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4926    1.2781    1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5453   -0.0999   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103   -0.6907    1.6362 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