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
-1.5961 0.4490 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5383 0.6334 1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1979 -0.5519 1.1234 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9684 -0.5560 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2355 -0.5598 -1.1925 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1174 -0.4875 -1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1549 0.3782 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3228 -0.9807 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4657 -0.0514 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8812 1.4236 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1312 1.4352 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0084 0.8243 2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5488 -0.1295 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5223 -1.5187 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5317 1.3744 -0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1355 -1.6826 0.2106 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