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
   -1.5684    0.0510   -1.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -0.2414   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0076   -0.6798    0.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -1.2651   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554   -0.7812    0.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.3375   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    1.2125   -0.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784    1.0538    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484    1.0318    0.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    0.3898   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    0.5324   -1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4259    0.7314   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052   -0.8935   -1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -0.1472    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -1.7864    1.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0212   -0.4840    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238   -1.3693   -1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1860   -2.2227    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569    1.9064    0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1534    0.8252    1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3591    1.5841    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9270    0.2146   -1.2564 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