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
-1.4293 0.4312 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8234 -0.0130 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5297 -0.0685 1.2029 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -0.0592 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3506 -0.7036 -1.0276 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0013 -0.6181 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0663 0.9324 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5262 -0.2712 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5407 0.3794 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0549 1.4184 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1146 0.6732 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2036 -1.0397 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 -1.5985 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4595 -0.4037 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2042 1.9491 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3089 -1.0081 0.0531 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