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
-1.6561 0.0724 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7886 -1.1463 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1412 -1.3180 -0.7203 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9197 -0.1854 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0882 0.8294 -1.3427 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 1.2297 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8635 0.1755 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 -0.2284 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2909 0.2968 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2626 -0.1475 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3236 -1.1105 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4657 -2.0494 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0396 1.2958 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2198 2.1795 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2200 0.4812 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2223 -0.3746 -1.6318 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