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
   -1.3795    0.8086    1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557    0.0848   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -0.3652   -0.9274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592    0.9748   -0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9374    0.1800   -1.4676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -0.2993   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344   -0.9420    0.5393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732   -1.1763    0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0980   -0.8228   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429    0.4578   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4901    1.2587    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417    1.6416    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169    0.1936    1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560   -1.0451   -1.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182    0.4933   -1.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7932   -0.9570   -0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    1.7914   -0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    1.4324   -1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.7035    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1604   -1.7824   -0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8293   -1.4306   -1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    1.2072    0.1658 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