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
-1.9420 -0.6097 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8886 0.0483 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5267 1.0958 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1459 -0.9841 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9865 -0.4894 -1.1393 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7985 0.1582 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0992 1.2738 0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1437 0.7713 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 0.0478 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5340 -0.5892 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9445 -0.1307 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0758 -1.6725 0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7148 -0.5737 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7775 1.6207 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9827 1.8502 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3232 0.7158 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8079 -1.4514 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2039 -1.7678 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 0.0767 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3466 1.5819 1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2055 0.2220 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6144 -1.1940 1.6963 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