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
-1.3100 -0.2002 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6875 -1.2865 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5628 -0.9875 -1.0286 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0343 0.1444 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2759 1.2231 -0.8408 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 1.1865 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5242 0.1077 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4584 0.2754 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4292 -0.2676 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -0.3255 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3538 -1.5813 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5666 -2.2064 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7171 1.6365 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 1.8461 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5327 0.0421 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4963 0.3932 -0.3426 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