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
-1.4138 1.4624 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9634 0.0153 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1474 -0.8905 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 -0.0334 1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0856 0.7384 0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 0.0140 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -0.9788 -0.6427 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1628 -0.4465 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0995 -0.5156 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0713 0.3765 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5514 2.1438 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9821 1.5825 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 1.6571 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 -0.5851 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -1.9351 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 -0.8248 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5220 0.3651 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 -1.0882 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0226 0.4241 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6588 -1.2473 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -1.1384 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7329 0.9045 -1.2038 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