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
-1.7053 0.3271 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1131 -0.9614 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -0.8577 -0.7476 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0175 -0.2657 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4328 0.7567 0.8982 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5440 1.3332 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4025 0.0228 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2277 -0.9143 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 0.2131 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5113 0.7287 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3000 -1.7822 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -1.1786 -1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8488 2.3289 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1966 1.3051 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0424 0.5980 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6455 -1.6539 1.3675 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