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
-1.6705 -0.1495 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7466 -0.9353 0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 -1.3693 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -0.3697 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 0.1596 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8232 0.9023 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4173 -0.3127 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7994 0.6602 0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3947 0.4076 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1446 -0.7788 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2618 -1.8403 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -0.2795 1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 1.5772 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2458 1.4108 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3996 -0.5795 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9765 1.4970 0.8896 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