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
-1.6558 0.6698 -1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8619 0.1261 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8361 -0.4745 1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -1.0452 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0445 -0.5210 -1.1783 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 0.1616 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2243 1.3300 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0001 1.1188 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6376 -0.6544 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2745 0.1473 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2617 1.5412 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3735 -0.1354 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 0.8771 -1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 -0.8614 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5328 0.3562 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4490 -1.2539 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3025 -1.6097 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6708 -1.6881 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5456 2.0910 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1686 0.7387 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 -1.3432 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2152 0.4289 -0.7443 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