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
-1.6149 0.0901 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7788 1.2352 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4394 1.3416 -0.1587 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0723 0.1299 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2838 -0.5570 -1.3304 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8170 -1.0484 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 -0.5952 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5073 0.0842 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1546 -0.2986 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3641 0.4483 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6072 1.2233 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3373 2.1924 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3816 -1.6232 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4544 -1.6914 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 -1.1659 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5143 0.2348 -0.7359 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