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
-1.7032 -0.2128 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6999 -1.2386 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3966 -1.1348 0.4039 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0078 0.0917 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 1.1707 0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 1.1362 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3199 0.1775 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3083 0.1738 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8235 -0.3732 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6650 -0.2607 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3440 -0.9173 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 -2.2513 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0073 1.3265 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6894 1.8836 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8774 0.2153 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9540 0.2133 -1.2069 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