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
-1.7124 -0.1505 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7547 -0.9876 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2163 -0.1216 -1.2954 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 0.4042 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2538 1.1235 0.6578 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8780 0.5132 1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2620 -0.1925 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2737 1.0171 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4259 -0.8336 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1905 0.6204 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3421 -1.7907 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3362 -1.4234 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -0.1984 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5096 1.3051 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8322 -1.0166 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9703 1.7316 -1.0691 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