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
-1.6019 -0.0447 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6157 0.6990 -1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3081 1.2989 -0.1967 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9993 0.2312 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2414 -0.4216 1.2823 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0071 -0.7959 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3943 0.4705 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0835 -0.4071 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3225 0.7258 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 -0.7226 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1226 1.5631 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0756 0.0662 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6829 -0.6951 1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0654 -1.8969 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1221 1.0224 1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 -1.0930 -1.0082 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