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
-1.5203 -0.1642 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6797 -1.1921 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3585 -0.5872 -1.1907 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0381 0.2157 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3092 1.3844 -0.1375 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0008 1.2147 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9473 -0.2497 0.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4977 0.3260 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5262 -0.1611 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7501 -0.5244 1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 -1.8812 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2045 -1.8828 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6048 1.8926 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1596 1.6562 1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2325 -0.7293 1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3196 0.6823 -1.0048 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