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
-1.7143 -0.0811 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6742 -1.1209 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1984 -0.4342 1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0568 0.2767 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3596 1.0784 -0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9789 1.2353 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4701 0.3602 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0496 -0.6068 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2465 -0.3511 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4425 -0.0439 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 -2.0084 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1284 -1.3669 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4624 1.8168 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1285 1.8087 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3142 0.8194 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4346 -1.3823 -0.8988 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