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
   -1.9341   -0.7608    0.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063   -0.0460    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319    0.7509   -1.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    0.9559    0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9957    1.1509   -0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160    0.0277    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478   -1.1275    0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337   -1.0426   -0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1233   -0.0562   -0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318    0.2200    0.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566   -0.1599    1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8073   -1.1250    0.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197   -1.6861    1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481    0.1578   -1.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6430    1.1878   -0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1022    1.6141   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    0.4576    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    1.8829    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3876   -0.5986   -1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838   -2.0197   -0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8651   -0.1814   -1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608    0.3983    1.7677 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