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
1.5580 -0.4156 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9705 0.5463 0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1783 1.4554 0.1539 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 0.7255 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4237 -0.0271 -1.4227 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 -1.0184 -0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7538 0.0193 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2523 1.1149 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2498 0.1638 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 -1.2558 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7728 1.0743 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 -0.0306 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9448 -1.5308 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0798 -1.7830 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9996 -0.7219 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1319 1.6838 -0.3552 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