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
-1.3125 0.0848 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0298 -1.2222 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3601 -1.3544 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0134 -0.1688 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5022 0.9011 -0.9536 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7265 1.2654 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 -0.2670 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7236 0.1445 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8747 0.0157 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4031 0.2616 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5122 -1.2307 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4009 -2.0283 0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6456 2.0969 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3804 1.5312 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4334 -0.4967 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7705 0.4669 2.0311 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