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
   -1.6469   -1.2268    0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911    0.0450    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132    1.1738    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2657   -0.0798   -1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651   -0.2314   -1.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8039   -0.2098   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1731   -0.5000    1.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292    0.3730    1.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -0.8457   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    0.5530   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.8454    1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6852   -1.0360    0.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7141   -1.8676   -0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    1.0301   -0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204    2.1655    0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3859    1.1092    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7539   -0.9320   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5557    0.8282   -1.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3539    0.2907    2.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    1.4276    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -1.6849   -0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6706    1.4632   -0.1242 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