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
-1.5838 0.3539 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1046 -1.0810 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2293 -1.1808 -0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9768 -0.5024 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1922 0.0829 1.1972 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 1.0967 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0298 0.3816 -0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3666 -0.6573 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5123 0.3606 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7187 0.8374 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2910 -1.5472 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7631 -1.5673 -1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 1.7075 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1613 1.6520 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3247 1.1962 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2299 -1.1328 0.8670 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