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
   -1.5248   -1.3433    0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8824   -0.1467    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9928    0.8684   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2049   -0.4472   -1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -0.4541   -1.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7876    0.3343   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9821    1.2208    0.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0321    0.5030    1.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317    0.9072   -0.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277   -0.1774    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6353   -1.2455    0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665   -1.5210    1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854   -2.2469    0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9861    0.3578   -0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9887    1.6983    0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    1.3242   -1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5439   -1.4738   -1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5486    0.2242   -2.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5416    1.1787    1.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5457   -0.3035    1.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780    1.5353   -1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234   -0.7929    0.9407 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