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
-1.6634 -0.2503 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8639 0.0692 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2362 0.8258 0.8969 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0599 0.2271 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4805 -0.3439 -1.0899 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8602 -0.2831 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 0.9242 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3633 -0.3554 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -1.2141 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4930 0.5012 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5118 0.7271 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6326 -0.8204 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1789 -1.2047 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1325 0.5622 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0170 1.7375 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0228 -1.1022 0.8302 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