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
1.6865 -0.0284 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8157 -1.0942 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2658 -1.3097 0.3679 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0244 -0.1584 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2726 0.7336 1.3005 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7969 1.1432 0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9433 0.3109 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 -0.2863 0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1602 -0.4628 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4454 0.3582 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -0.8464 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3680 -2.0765 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4042 1.6095 -0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4425 1.8806 1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3181 0.7540 -1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3691 -0.5273 1.2924 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