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
   -2.0442    0.1397   -1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769    0.0635   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588    0.1627    1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724   -1.2182   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9344   -0.8564   -1.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110   -0.1626   -0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1424    0.7784    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0451    1.2002   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    0.3545   -0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0449   -0.7519    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139    0.4217   -2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4873   -0.8843   -1.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498    0.8539   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721   -0.4321    1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597    1.2332    1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310   -0.1166    2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -1.9744   -0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1193   -1.6696    0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3532    2.1600    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343    1.1862   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    0.9746   -1.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950   -1.4625    0.5758 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