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
-1.6196 -0.0151 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7215 -1.2012 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5020 -0.7571 0.5799 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0573 0.1167 -0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3759 1.2676 -0.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9487 1.2792 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 -0.4316 -1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5383 0.2703 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3483 -0.2410 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 -0.0041 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0919 -1.9691 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 -1.7225 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4739 1.8310 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1241 1.9326 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2597 -0.9786 -2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4218 0.6229 0.3108 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