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
-1.6763 0.3760 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 1.1521 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4996 1.2049 -0.0334 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0196 -0.0279 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1583 -0.8224 1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0303 -1.0134 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0646 -0.6556 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.0001 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6275 0.8468 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6936 0.3409 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5759 0.5266 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0846 2.1438 -0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8597 -1.3223 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 -1.7358 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4632 -1.2119 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3176 0.1984 1.3219 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