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
   -1.5875   -0.5245   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818   -0.1025    0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8213   -0.0633    1.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2575    1.2555   -0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356    1.0173   -1.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    0.2886   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931   -1.0054   -0.3377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856   -1.1161    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6516    0.9953    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480    0.4650   -1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233   -0.3857   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8097   -1.6090   -1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839    0.0860   -1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590   -1.0175    1.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8732    0.0080    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    0.8131    2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    1.6292    0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    1.9567   -0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728   -2.1272    0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3975   -1.1242    1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0385    1.5284    1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9246    0.4278   -1.7034 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