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
1.6224 0.1946 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8547 -0.7861 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2339 -1.3283 -0.2722 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0258 -0.3443 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3352 0.3393 1.2849 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 0.9367 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4244 -0.6883 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1171 0.2722 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1320 0.9361 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4511 -0.3781 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 -1.6379 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5211 -0.3115 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4632 1.0790 1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6302 1.9938 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2592 -1.1581 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6020 0.8809 -1.1553 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