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
-1.6730 0.0552 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9001 -0.9115 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1631 -1.4384 -0.0039 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9864 -0.4021 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 0.5048 -1.2381 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6546 1.1522 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4283 -0.5449 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9209 0.1777 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9800 -0.4455 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5473 0.4593 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4720 -0.2663 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6185 -1.6455 1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2848 1.5189 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1113 1.9407 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3309 -0.9123 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0344 0.7574 1.4907 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