3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane

C9H18O5S — CID 107764097

IUPAC3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
SMILESCOC(CS(=O)(=O)C1CCOC1C)OC
InChIInChI=1S/C9H18O5S/c1-7-8(4-5-14-7)15(10,11)6-9(12-2)13-3/h7-9H,4-6H2,1-3H3
InChIKeyHZDWAOMUNXLDRJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP0.20
Rot. Bonds5

About 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane

3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane (PubChem CID 107764097) has the molecular formula C9H18O5S and a molecular weight of 238.30 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
PubChem CID107764097
Molecular FormulaC9H18O5S
Molecular Weight238.30 g/mol
Exact Mass238.09
IUPAC Name3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
SMILESCOC(CS(=O)(=O)C1CCOC1C)OC
InChIInChI=1S/C9H18O5S/c1-7-8(4-5-14-7)15(10,11)6-9(12-2)13-3/h7-9H,4-6H2,1-3H3
InChIKeyHZDWAOMUNXLDRJ-UHFFFAOYSA-N
XLogP0.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane?
The IUPAC name of 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane (CID 107764097) is 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane.
What is the SMILES notation for 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane?
The canonical SMILES for 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane is COC(CS(=O)(=O)C1CCOC1C)OC.
What is the InChIKey of 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane?
The InChIKey is HZDWAOMUNXLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5S/c1-7-8(4-5-14-7)15(10,11)6-9(12-2)13-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane?
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane has a molecular weight of 238.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane is sourced from PubChem (CID 107764097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).