6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one

C7H8O11S2 — CID 170116251

IUPAC6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one
SMILESO=C1OCC2(COS(=O)(=O)O2)C(C2COS(=O)(=O)O2)O1
InChIInChI=1S/C7H8O11S2/c8-6-13-2-7(3-15-20(11,12)18-7)5(16-6)4-1-14-19(9,10)17-4/h4-5H,1-3H2
InChIKeyGZDMKGLOGQCOPD-UHFFFAOYSA-N
MW332.26 g/mol
LogP-1.79
Rot. Bonds1

About 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one

6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one (PubChem CID 170116251) has the molecular formula C7H8O11S2 and a molecular weight of 332.26 g/mol. Its IUPAC name is 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one
PubChem CID170116251
Molecular FormulaC7H8O11S2
Molecular Weight332.26 g/mol
Exact Mass331.95
IUPAC Name6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one
SMILESO=C1OCC2(COS(=O)(=O)O2)C(C2COS(=O)(=O)O2)O1
InChIInChI=1S/C7H8O11S2/c8-6-13-2-7(3-15-20(11,12)18-7)5(16-6)4-1-14-19(9,10)17-4/h4-5H,1-3H2
InChIKeyGZDMKGLOGQCOPD-UHFFFAOYSA-N
XLogP-1.79
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one with MolForge

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Related Compounds

3,3-dioxo-1-(2-oxo-1,3-dioxolan-4-yl)-2,7,9-trioxa-3λ6-thiaspiro[4.5]decan-8-one
CID 167202576
2,2,7,7-tetraoxo-1,3,6,8-tetraoxa-2λ6,7λ6-dithiaspiro[4.4]nonan-4-one
CID 137411723
4-[5-[5-[5-[2,2-dioxo-5-[2-oxo-5-[2-oxo-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]-1,3,2-dioxathiolan-4-yl]-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2,2-dioxo-1,3,2-dioxathiolan-4-yl]-2-oxo-1,3-dioxolan-4-yl]-5-(2-oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
CID 167202584
[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate
CID 170116359
4-iodo-1,3,2-dioxathiolane 2,2-dioxide
CID 90360634
4,5-bis[3-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2-oxopropyl]-1,3-dioxolan-2-one
CID 167202699
4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
CID 10986484
4-(2,2-dioxooxathiolan-4-yl)-8-oxo-1,3,7,9-tetraoxa-8λ4-thiaspiro[4.5]decan-2-one
CID 170017775
(7R,7aR)-7-hydroxy-6,7-dimethyl-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3]dioxin-2-one
CID 145071276
(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
CID 59911486
4,5-dihydroxy-1,3-dioxan-2-one
CID 139816851
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one?
The IUPAC name of 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one (CID 170116251) is 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one?
The canonical SMILES for 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one is O=C1OCC2(COS(=O)(=O)O2)C(C2COS(=O)(=O)O2)O1.
What is the InChIKey of 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one?
The InChIKey is GZDMKGLOGQCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O11S2/c8-6-13-2-7(3-15-20(11,12)18-7)5(16-6)4-1-14-19(9,10)17-4/h4-5H,1-3H2.
What are the key properties of 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one?
6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one has a molecular weight of 332.26 g/mol, XLogP of -1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2,2-dioxo-1,3,7,9-tetraoxa-2λ6-thiaspiro[4.5]decan-8-one is sourced from PubChem (CID 170116251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).