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
-1.6595 0.3005 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9135 -0.6981 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0646 -1.4142 -0.1236 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8405 -0.6069 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1300 0.2257 1.4332 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5450 1.1321 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1824 -0.9621 0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8820 0.1209 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -0.2573 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3462 0.9237 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6041 -1.4074 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3138 -0.1014 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9138 2.0071 1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1380 1.4004 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0511 -1.4957 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3120 0.8326 -0.8935 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