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
   -1.7185   -1.1515    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080   -0.0596    0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8703    1.0036   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0718    0.5386    1.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3663    0.0992    0.9855 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    0.2606   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615    0.3565   -1.2607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1595   -0.5697   -1.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980    0.7854   -0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9910   -0.6273   -0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050   -1.4867    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937   -1.9842    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2115   -0.7052    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9581    1.8351    0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642    1.4048   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8854    0.5443   -0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355    0.2381    2.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009    1.6551    1.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8737   -0.5809   -1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2240   -1.5898   -0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9201    1.5691   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116   -1.5356   -0.9394 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