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
1.7239 0.1317 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9910 -1.1893 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1158 -1.1279 0.5801 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0375 -0.2365 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4337 0.6720 -0.8304 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 1.2159 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4501 -0.5043 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9291 0.3922 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3953 0.2400 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2622 0.0926 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 -1.2751 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6807 -2.0113 0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0012 2.1621 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2706 1.4010 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3584 -0.9529 -0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2548 0.9898 1.8682 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