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
-1.6084 0.2744 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6584 1.0023 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4235 1.3595 -0.1642 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1253 0.1735 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4129 -0.6505 -1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8524 -0.9555 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6568 -0.5387 0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4801 0.1139 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7612 0.9117 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5203 -0.0187 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1375 1.8979 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3444 0.2812 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8105 -1.6569 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4540 -1.3810 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5082 -1.1135 1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5403 0.3006 -0.2074 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