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
   -2.1012   -0.7425   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426   -0.0927   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3743    1.0648    0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1658   -1.1302    0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -0.4627    1.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857    0.2440    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171    1.1589   -0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687    0.4855   -1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.7082    1.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843   -0.2375   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796   -1.8304   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1131   -0.6285   -1.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0485   -0.2799   -0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423    1.5626    1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9670    1.7433    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    0.6916    1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -1.6036    1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2320   -1.8597   -0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574    1.1432   -1.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4928   -0.3562   -1.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    1.2619    1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309   -0.8405   -0.6295 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