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
-1.5495 -0.0112 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9259 -1.0123 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4045 -0.7380 -0.8547 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9908 -0.0404 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4359 1.1886 0.4343 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8356 1.3041 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 -0.5661 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4871 0.0816 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 0.0631 0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2190 -0.3379 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1828 -2.0442 -0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4196 -0.7576 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 1.3762 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 2.1762 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2207 -1.1152 1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3399 0.4332 -0.5790 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