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
-1.7309 -0.2101 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5930 -1.0517 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3844 -0.1250 1.1349 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0205 0.2601 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0797 0.6982 -0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0524 1.0863 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3344 0.7491 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0977 -0.6504 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5196 -0.0105 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 -0.6902 -0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9271 -1.5850 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1872 -1.7295 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7987 1.6448 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7650 1.6785 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1467 1.4541 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6309 -1.5186 -0.8209 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