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
-1.6040 -0.1687 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8059 0.3883 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3650 -0.3657 -1.2511 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0696 -0.1843 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5068 -0.7751 1.0171 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8334 -0.6010 1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9978 0.9439 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5434 -0.2637 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1977 -1.0340 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3826 0.6029 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3720 0.2731 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5420 1.4515 -1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2553 -1.5491 1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0097 0.1578 2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1022 2.0103 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4177 -0.8862 -0.3167 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