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
-1.5506 -0.0172 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 0.9744 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1984 0.3275 -1.5095 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -0.3514 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -1.4842 -0.2004 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6792 -1.0327 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4003 -0.2673 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5966 0.4602 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3206 -0.5434 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1184 0.5671 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4686 1.5527 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3271 1.7063 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1132 -0.6407 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 -1.9232 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4284 -0.4069 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7508 1.0788 1.3587 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