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
   -1.9139   -1.0461   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349   -0.0310   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7073    1.1997    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934    0.3690   -1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2450   -0.3541   -0.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8327   -0.0282    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    0.0454    1.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033   -0.6486    1.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -0.5839    0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141    0.8093    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3295   -1.5773    0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467   -1.7608   -1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7788   -0.5293   -1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1092    1.6231   -0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845    2.0083    0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5978    1.0028    0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181    0.1314   -2.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643    1.4513   -1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179   -1.6771    0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8547   -0.8245    1.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575   -1.3427    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    1.7631    0.3855 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