4-(methylsulfonylmethyl)-1,3-dioxolane

C5H10O4S — CID 89314053

IUPAC4-(methylsulfonylmethyl)-1,3-dioxolane
SMILESCS(=O)(=O)CC1COCO1
InChIInChI=1S/C5H10O4S/c1-10(6,7)3-5-2-8-4-9-5/h5H,2-4H2,1H3
InChIKeyPSQZVBFZLLPDEM-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.60
Rot. Bonds2

About 4-(methylsulfonylmethyl)-1,3-dioxolane

4-(methylsulfonylmethyl)-1,3-dioxolane (PubChem CID 89314053) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-1,3-dioxolane
PubChem CID89314053
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name4-(methylsulfonylmethyl)-1,3-dioxolane
SMILESCS(=O)(=O)CC1COCO1
InChIInChI=1S/C5H10O4S/c1-10(6,7)3-5-2-8-4-9-5/h5H,2-4H2,1H3
InChIKeyPSQZVBFZLLPDEM-UHFFFAOYSA-N
XLogP-0.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-1,3-dioxolane?
The IUPAC name of 4-(methylsulfonylmethyl)-1,3-dioxolane (CID 89314053) is 4-(methylsulfonylmethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(methylsulfonylmethyl)-1,3-dioxolane?
The canonical SMILES for 4-(methylsulfonylmethyl)-1,3-dioxolane is CS(=O)(=O)CC1COCO1.
What is the InChIKey of 4-(methylsulfonylmethyl)-1,3-dioxolane?
The InChIKey is PSQZVBFZLLPDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-10(6,7)3-5-2-8-4-9-5/h5H,2-4H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)-1,3-dioxolane?
4-(methylsulfonylmethyl)-1,3-dioxolane has a molecular weight of 166.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-1,3-dioxolane is sourced from PubChem (CID 89314053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).