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
1.6158 0.2975 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1142 -1.0637 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1311 -1.3667 -0.0151 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9950 -0.3450 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4247 0.7632 0.8471 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4621 1.2984 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4079 -0.6318 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 0.0334 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3003 0.6583 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1845 0.3925 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1888 -1.2214 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8331 -1.8018 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0279 1.2077 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7836 2.3053 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2498 -1.0674 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2101 0.5416 -1.7431 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