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
1.5877 0.0644 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6688 -0.9155 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 -1.4653 -0.0511 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9511 -0.3987 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1445 0.3799 -1.3698 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8327 1.0477 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 0.3168 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -0.4627 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1678 0.5752 1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2523 -0.5219 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2480 -1.7507 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 -0.3618 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3060 1.8077 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5188 1.5127 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9634 0.9195 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3218 -0.7473 -0.9388 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