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
-1.7732 0.0532 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8600 1.2651 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1797 0.7987 0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0698 -0.0004 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3254 -0.8462 -0.9689 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8567 -1.1541 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1366 -0.6422 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4074 0.3861 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6333 0.0537 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1211 0.0079 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3701 2.0686 0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4774 1.5990 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6087 -1.1353 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -2.0878 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6503 -1.2823 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2345 0.9163 -0.8366 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