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
-1.4315 1.0524 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8938 -0.2038 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0516 -1.1790 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2300 0.0672 -1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0772 0.3340 -1.2826 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8240 0.2724 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -0.1774 0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1396 -0.8825 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8098 1.4060 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 0.1890 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3680 1.3139 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6201 0.8500 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7421 1.9108 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7439 -2.1660 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9154 -0.7611 -0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4087 -1.3409 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4307 -0.8088 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7814 0.9173 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2749 -0.9996 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2694 -1.9155 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9584 2.4429 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2188 -0.3212 -0.6517 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