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
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
-1.8552 0.4965 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8808 0.1185 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7338 -0.3277 -0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0668 -1.1076 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9215 -1.2069 -0.4107 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7870 -0.1506 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 1.0827 -0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0386 1.2893 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1778 -0.3149 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9663 -0.4024 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2838 0.7769 2.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3796 1.4134 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5615 -0.3282 1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7529 0.0834 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 0.0119 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8346 -1.4307 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4081 -0.9489 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 -1.9894 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 2.0878 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4845 1.7731 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9751 -0.3728 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4256 -0.5535 1.6186 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