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
   -1.8159   -0.7662   -0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695    0.0786    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    0.9255    0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -0.8920    0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0224   -0.2156    1.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8429   -0.1956    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924   -0.0026   -1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0580    0.8867   -0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0858    0.5803    0.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1231   -0.8038    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1386   -1.4418   -1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447   -1.4151   -0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773   -0.1785   -1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7593    1.1902    0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301    1.8724    1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985    0.3930    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802   -1.1079    1.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -1.7889    0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4510    1.6590    0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631    1.4014   -1.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239    1.4759    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.6550   -0.0287 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