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
-1.6205 -0.1568 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0058 0.2874 1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3194 0.5429 1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0537 0.2447 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3760 0.5368 -1.0034 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6971 -0.3063 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 0.7247 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2270 -0.6168 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 0.5793 -0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1866 -1.1242 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 1.2003 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2178 -0.4919 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4177 -1.3648 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1920 0.0012 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1763 1.5541 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6618 -1.6106 0.1698 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