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
-2.0827 -0.5368 0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9138 0.2860 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 1.6542 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1610 0.3889 1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7856 -0.8802 1.0995 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7017 -0.8170 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1370 -0.3129 -1.1091 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2326 -0.4038 -1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9221 -1.5811 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9968 -0.1987 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7645 -1.4978 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7319 -0.7512 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6428 0.0995 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 2.3535 0.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8751 1.9779 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4987 1.6350 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 0.6464 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8794 1.1542 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6076 -1.4511 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5687 0.1516 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5163 -2.4682 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7036 0.5514 0.7718 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