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
-1.6649 0.1390 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8265 -0.2979 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1962 0.6465 -1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9661 0.6044 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2700 1.0074 1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7067 0.0101 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4045 0.6248 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8126 -0.5987 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8574 1.2223 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5629 -0.4611 0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4168 -1.3088 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5032 -0.2857 -2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1346 -0.9559 1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2306 0.1258 2.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3418 1.1881 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9123 -1.6603 0.2627 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