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
   -1.9472   -1.0195    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9342   -0.0953    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475    1.1949   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.3327    1.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495    1.0789    0.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219    0.1464   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1149   -0.7902   -1.0299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -0.6256   -1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767    0.5337   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525   -0.3871    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9466   -2.0351    0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985   -0.6371    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019   -1.0822    1.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5948    1.9388    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411    1.6116   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048    0.9866   -0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3258    0.9595    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6492   -0.5558    1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6791   -1.6304   -1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246   -0.0194   -2.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9881    1.0281   -1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5028   -0.9334    1.2124 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