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
-1.5544 0.6343 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 0.4530 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6289 0.3025 -1.0272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0510 -0.2369 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2268 -0.2621 1.1912 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1058 -0.3684 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 0.1056 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2243 -1.1461 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4062 1.6845 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6129 0.5411 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0443 -0.3817 -1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 1.3772 -1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4728 -1.3552 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 -0.1046 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1616 0.9009 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5828 -2.1441 -0.1225 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