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
-1.5654 0.3818 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9106 -0.8383 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0725 -1.4512 0.2159 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -0.4918 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3444 0.4686 1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6067 1.2089 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2833 -0.9089 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8671 -0.1078 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4363 0.0545 0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9333 0.9945 -1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6912 -1.5258 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2185 -0.5082 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 1.7307 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1653 2.0260 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1585 -1.3616 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 0.3286 -1.4034 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