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
   -1.4291    0.2427   -1.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802   -0.0045   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.5907    0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -0.9804   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3884   -0.1568   -0.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    0.3932    0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8086    1.0919    1.1163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3270    1.2756    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5237   -0.5869    1.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154    0.5781    0.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    0.8823   -1.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722    0.6849   -2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7449   -0.7576   -2.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566   -0.8978    0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223    0.1955    1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427   -1.5127    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595   -1.4347    0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790   -1.7250   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    1.9842   -0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051    1.7146    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.4351    1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704    1.0394    0.7493 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