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
-1.4662 0.3299 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3933 1.3644 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 1.0737 -0.7299 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 -0.2251 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1905 -1.0939 -0.9686 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1084 -0.9345 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4834 -0.5196 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5877 -0.5407 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 0.1252 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3804 0.7929 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7885 2.3805 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0445 1.4634 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 -1.0391 -1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3930 -1.8092 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5050 -0.6691 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4868 -0.6986 1.9597 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