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
   -1.9013   -0.5582   -1.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -0.1019   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440    0.4089    1.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862    1.0403   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338    1.1376    0.4583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8079    0.0819    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479   -1.0055   -0.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -1.2411    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163   -0.0115    0.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193    0.4929   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -1.5149   -1.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9986    0.2154   -1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9018   -0.7176   -0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707    1.1254    1.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5947    1.0000    0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0396   -0.4255    1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6311    1.9792   -0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3704    0.7708   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -2.2162    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958   -1.0965    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519   -0.2368    1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    0.8734   -1.4108 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