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
1.4712 0.2764 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0948 -1.1618 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2254 -1.4325 0.1181 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9880 -0.3964 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2593 0.4004 -1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5743 1.1863 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9413 0.2270 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3914 -0.4581 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5041 0.4003 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5922 0.6346 1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4469 -1.6777 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6589 -1.6690 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0924 1.9321 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0824 1.7146 0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2429 0.7776 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3041 -0.7536 -1.1111 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