(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane

C6H12O3S — CID 69293358

IUPAC(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane
SMILESCS(=O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C6H12O3S/c1-6(2)8-4-5(9-6)10(3)7/h5H,4H2,1-3H3/t5-,10?/m1/s1
InChIKeyQGQRWSMFBZECLO-UYBGKAFVSA-N
MW164.23 g/mol
LogP0.47
Rot. Bonds1

About (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane

(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane (PubChem CID 69293358) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane
PubChem CID69293358
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane
SMILESCS(=O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C6H12O3S/c1-6(2)8-4-5(9-6)10(3)7/h5H,4H2,1-3H3/t5-,10?/m1/s1
InChIKeyQGQRWSMFBZECLO-UYBGKAFVSA-N
XLogP0.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane (CID 69293358) is (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane is CS(=O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane?
The InChIKey is QGQRWSMFBZECLO-UYBGKAFVSA-N. The full InChI is InChI=1S/C6H12O3S/c1-6(2)8-4-5(9-6)10(3)7/h5H,4H2,1-3H3/t5-,10?/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane?
(4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane has a molecular weight of 164.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-methylsulfinyl-1,3-dioxolane is sourced from PubChem (CID 69293358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).