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
-1.7562 -0.0178 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7506 1.1081 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3171 0.5051 -1.2199 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0780 -0.1466 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3029 -0.9031 0.6195 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9327 -1.2381 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4943 -0.3524 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 0.6728 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 0.2423 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2621 -0.1808 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3536 1.4354 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1939 1.9393 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8566 -1.9111 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 -1.8142 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4007 -0.8167 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3647 1.4777 1.1212 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