Monomers
4,8-Dioxaspiro[2.5]oct-1-ene
Identifiers
IUPAC name
4,8-dioxaspiro[2.5]oct-1-ene
InchI
InChI=1S/C6H8O2/c1-4-7-6(2-3-6)8-5-1/h2-3H,1,4-5H2
InchI Key
HIQNFQSASCLYLW-UHFFFAOYSA-N
SMILES
C1COC2(OC1)C=C2
Canonical SMILES
C1COC2(C=C2)OC1
Isomeric SMILES
C1COC2(C=C2)OC1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
18.46
MolLogP
0.6894
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
16 17 0 0 0 0 0 0 0 0999 V2000
-1.6229 -0.0010 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9801 1.0147 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3540 1.2430 -0.2825 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0798 0.0971 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6061 -0.7062 0.9437 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7125 -1.0266 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5621 0.3359 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0653 -0.3666 -1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 0.5345 1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4166 -0.5167 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5045 1.9945 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0763 0.7509 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0481 -1.2311 1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -2.0232 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3792 0.7811 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3705 -0.8804 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
4 7 1 0
7 8 2 0
6 1 1 0
8 4 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers