2-(2-methylsulfonylethyl)-1,3-dioxolane

C6H12O4S — CID 166441568

IUPAC2-(2-methylsulfonylethyl)-1,3-dioxolane
SMILESCS(=O)(=O)CCC1OCCO1
InChIInChI=1S/C6H12O4S/c1-11(7,8)5-2-6-9-3-4-10-6/h6H,2-5H2,1H3
InChIKeyHYGMBFVRUSEPOQ-UHFFFAOYSA-N
MW180.22 g/mol
LogP-0.21
Rot. Bonds3

About 2-(2-methylsulfonylethyl)-1,3-dioxolane

2-(2-methylsulfonylethyl)-1,3-dioxolane (PubChem CID 166441568) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-(2-methylsulfonylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methylsulfonylethyl)-1,3-dioxolane
PubChem CID166441568
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name2-(2-methylsulfonylethyl)-1,3-dioxolane
SMILESCS(=O)(=O)CCC1OCCO1
InChIInChI=1S/C6H12O4S/c1-11(7,8)5-2-6-9-3-4-10-6/h6H,2-5H2,1H3
InChIKeyHYGMBFVRUSEPOQ-UHFFFAOYSA-N
XLogP-0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethyl)-1,3-dioxolane?
The IUPAC name of 2-(2-methylsulfonylethyl)-1,3-dioxolane (CID 166441568) is 2-(2-methylsulfonylethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-methylsulfonylethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-methylsulfonylethyl)-1,3-dioxolane is CS(=O)(=O)CCC1OCCO1.
What is the InChIKey of 2-(2-methylsulfonylethyl)-1,3-dioxolane?
The InChIKey is HYGMBFVRUSEPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c1-11(7,8)5-2-6-9-3-4-10-6/h6H,2-5H2,1H3.
What are the key properties of 2-(2-methylsulfonylethyl)-1,3-dioxolane?
2-(2-methylsulfonylethyl)-1,3-dioxolane has a molecular weight of 180.22 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethyl)-1,3-dioxolane is sourced from PubChem (CID 166441568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).