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
1.6055 0.1538 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7824 1.2084 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4362 0.7277 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0536 -0.1000 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -1.1897 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9603 -1.2101 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2548 0.3029 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4794 -0.4270 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5928 0.0873 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7427 0.3368 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7502 2.0908 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2845 1.5968 -1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5819 -1.9165 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9653 -1.5598 -1.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6343 0.8345 1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0757 -0.9359 -1.0276 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