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
-1.7279 -0.4596 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0841 0.9201 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0531 0.6697 1.0997 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0277 0.1858 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4607 -0.6818 -0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5494 -1.4090 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3938 0.0762 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9613 1.2409 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4049 -0.4062 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2115 -0.6769 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7458 1.1971 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7556 1.6518 0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2277 -1.8383 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8443 -2.2506 -0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3026 -0.3515 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3518 2.1321 -0.7135 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