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
   -1.6284   -0.3820   -1.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9653   -0.0123   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184    0.2276    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -1.1846    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.9665   -0.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8496    0.0771    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761    1.0224    0.6216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    1.1865   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102   -0.2509    0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0552    0.5787   -0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -1.2450   -1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572    0.4479   -1.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8556   -0.6666   -2.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    0.7288    1.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084    0.8576    0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4950   -0.7530    1.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -2.1469   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331   -1.1392    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    1.0666   -1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5559    2.1423   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7971   -0.7142    1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    1.1255   -1.2091 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