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
-1.6402 0.5890 -1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9949 -0.0967 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -0.8332 0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2348 0.9588 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8879 1.2863 -0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7905 0.2218 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1255 -0.9646 0.2752 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0798 -1.0640 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8981 0.0827 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1480 0.4664 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3849 1.6849 -1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7525 0.5555 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4003 0.0982 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3468 -1.4223 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 -1.5929 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6648 -0.1517 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1470 0.5087 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8548 1.8404 0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5060 -0.6949 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2972 -2.0906 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4634 -0.0907 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9452 0.7088 1.0935 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