4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide

C5H10O4S — CID 15444913

IUPAC4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide
SMILESCC1CC(C)OS(=O)(=O)O1
InChIInChI=1S/C5H10O4S/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3
InChIKeySNUUNBNYJHRNPG-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.45
Rot. Bonds

About 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide

4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 15444913) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide
PubChem CID15444913
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide
SMILESCC1CC(C)OS(=O)(=O)O1
InChIInChI=1S/C5H10O4S/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3
InChIKeySNUUNBNYJHRNPG-UHFFFAOYSA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide (CID 15444913) is 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide is CC1CC(C)OS(=O)(=O)O1.
What is the InChIKey of 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is SNUUNBNYJHRNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-4-3-5(2)9-10(6,7)8-4/h4-5H,3H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide?
4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 166.20 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 15444913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).