2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane

C8H18O6S — CID 12815897

IUPAC2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane
SMILESCOC(CS(=O)(=O)CC(OC)OC)OC
InChIInChI=1S/C8H18O6S/c1-11-7(12-2)5-15(9,10)6-8(13-3)14-4/h7-8H,5-6H2,1-4H3
InChIKeyVCMBFBUXKPEPLM-UHFFFAOYSA-N
MW242.29 g/mol
LogP-0.36
Rot. Bonds8

About 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane

2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane (PubChem CID 12815897) has the molecular formula C8H18O6S and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane
PubChem CID12815897
Molecular FormulaC8H18O6S
Molecular Weight242.29 g/mol
Exact Mass242.08
IUPAC Name2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane
SMILESCOC(CS(=O)(=O)CC(OC)OC)OC
InChIInChI=1S/C8H18O6S/c1-11-7(12-2)5-15(9,10)6-8(13-3)14-4/h7-8H,5-6H2,1-4H3
InChIKeyVCMBFBUXKPEPLM-UHFFFAOYSA-N
XLogP-0.36
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane?
The IUPAC name of 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane (CID 12815897) is 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane is COC(CS(=O)(=O)CC(OC)OC)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane?
The InChIKey is VCMBFBUXKPEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6S/c1-11-7(12-2)5-15(9,10)6-8(13-3)14-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane?
2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane has a molecular weight of 242.29 g/mol, XLogP of -0.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfonyl)-1,1-dimethoxyethane is sourced from PubChem (CID 12815897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).