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
-1.1386 0.3123 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0292 0.9160 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 0.5280 1.4824 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8786 -0.2951 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -1.4625 0.4037 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7160 -1.1252 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3056 -0.2736 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6565 0.2344 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 0.3985 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5426 0.9140 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 0.6825 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9840 2.0283 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1415 -1.3097 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 -1.8051 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2764 -0.4109 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9052 0.6680 -1.3545 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