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
-1.4891 -0.3117 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 0.9442 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3468 0.7622 -1.2815 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0508 -0.0032 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3135 -1.1293 -0.1411 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6028 -0.8498 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8141 0.6754 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4773 -0.0323 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8968 -0.9992 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4584 0.1466 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6295 1.2923 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8798 1.7218 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0513 -1.6636 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4243 -1.5120 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8812 1.3034 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4450 -0.3449 -0.6986 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