[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate

C7H10O11S2 — CID 170116359

IUPAC[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate
SMILESCOS(=O)(=O)OC(C1COC(=O)O1)C1COS(=O)(=O)O1
InChIInChI=1S/C7H10O11S2/c1-13-19(9,10)18-6(4-2-14-7(8)16-4)5-3-15-20(11,12)17-5/h4-6H,2-3H2,1H3
InChIKeyVKDXRLHGSUBNFR-UHFFFAOYSA-N
MW334.28 g/mol
LogP-1.54
Rot. Bonds5

About [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate

[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate (PubChem CID 170116359) has the molecular formula C7H10O11S2 and a molecular weight of 334.28 g/mol. Its IUPAC name is [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate.

Molecular Properties

Compound Name[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate
PubChem CID170116359
Molecular FormulaC7H10O11S2
Molecular Weight334.28 g/mol
Exact Mass333.97
IUPAC Name[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate
SMILESCOS(=O)(=O)OC(C1COC(=O)O1)C1COS(=O)(=O)O1
InChIInChI=1S/C7H10O11S2/c1-13-19(9,10)18-6(4-2-14-7(8)16-4)5-3-15-20(11,12)17-5/h4-6H,2-3H2,1H3
InChIKeyVKDXRLHGSUBNFR-UHFFFAOYSA-N
XLogP-1.54
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate with MolForge

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Related Compounds

2,3-bis(2-oxo-1,3-dioxolan-4-yl)butyl methanesulfonate
CID 170116424
4-hexan-2-yl-1,3-dioxolan-2-one
CID 142697088
4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one
CID 139968300
(2Z)-2-ethylidene-4-[(2-ethylidene-1,3-dioxolan-4-yl)-methoxymethyl]-1,3-dioxolane
CID 146237136
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
CID 22101666
carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one
CID 69479472
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
4-[iodo-[(2-oxo-1,3-dioxolan-4-yl)amino]methyl]-1,3-dioxolan-2-one
CID 163896779
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848
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
4,5-bis[3-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2-oxopropyl]-1,3-dioxolan-2-one
CID 167202699

Frequently Asked Questions

What is the IUPAC name of [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate?
The IUPAC name of [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate (CID 170116359) is [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate.
What is the SMILES notation for [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate?
The canonical SMILES for [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate is COS(=O)(=O)OC(C1COC(=O)O1)C1COS(=O)(=O)O1.
What is the InChIKey of [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate?
The InChIKey is VKDXRLHGSUBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O11S2/c1-13-19(9,10)18-6(4-2-14-7(8)16-4)5-3-15-20(11,12)17-5/h4-6H,2-3H2,1H3.
What are the key properties of [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate?
[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate has a molecular weight of 334.28 g/mol, XLogP of -1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-(2-oxo-1,3-dioxolan-4-yl)methyl] methyl sulfate is sourced from PubChem (CID 170116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).