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
1.7881 -0.1676 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6922 -1.2190 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3580 -0.5330 0.7079 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0403 0.1489 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1131 0.5679 -1.2774 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0235 1.0636 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2623 0.8386 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2907 -0.4210 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5119 -0.5271 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 0.0270 0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 -2.0523 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3920 -1.5478 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6588 1.5831 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 1.7097 -1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9459 1.5912 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9660 -1.0621 -1.3469 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