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
-1.4340 1.3619 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9520 0.0050 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1458 -0.8952 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 0.1158 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 -0.6646 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8552 -0.2027 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 -0.0821 1.0566 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0978 -0.6532 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9494 0.7493 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2381 -0.6642 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 1.3751 0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 2.0721 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9466 1.7674 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4216 -1.3142 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9186 -1.7488 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 -0.2924 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6431 -0.1521 -2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2556 1.1700 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5593 -0.5842 1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 -1.7164 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4235 1.6748 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0899 -1.3214 -0.0785 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