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
1.3288 -0.0449 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8413 -0.8980 -0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3739 -0.4625 -1.3458 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 0.1748 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5403 1.4413 -0.0969 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 1.3363 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 -0.1309 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6120 -0.5412 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4522 0.0303 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1115 -0.5595 1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6826 -1.9696 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.9807 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8424 1.7229 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4386 1.9996 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4525 -0.0367 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5955 -1.0813 1.7518 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