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
-1.4209 0.2935 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7097 0.9870 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3434 0.1303 1.1781 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9692 -0.2990 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 -1.3266 -0.6133 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0799 -1.1764 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4350 -0.3985 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8279 0.4994 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5103 0.3818 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0349 0.7198 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3853 1.0648 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2825 1.9465 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0684 -1.4430 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7690 -1.8360 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3580 -0.8144 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0745 1.2707 -1.5245 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