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
   -1.8177    0.0755   -0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9739   -0.2557    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378   -0.8156    1.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2192    1.0184    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605    1.2606   -0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    0.3989   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611   -0.8303    0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218   -1.2399   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826    1.0641    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004    0.5624   -0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7242    0.6220   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955    0.6906   -1.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1034   -0.8395   -1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0390   -1.1233    2.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4442   -0.0540    1.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2943   -1.6898    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    1.8700    0.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028    0.8233    1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1281   -1.3465   -1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730   -2.2453    0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812    1.5647    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7129    0.4895   -1.7083 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