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
-1.6490 -0.0093 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8951 1.2514 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3630 1.2885 0.2749 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 0.0877 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2735 -0.9329 0.9134 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7638 -1.2207 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4710 0.1978 0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0332 -0.3230 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2929 -0.0149 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 -0.1406 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8602 1.5083 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4856 2.0965 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3413 -1.3936 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3129 -2.0859 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3828 0.4054 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4037 -0.7149 -1.5415 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