4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide

C7H12O4S — CID 146259171

IUPAC4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide
SMILESCC1=C(C)C(C)(C)OS(=O)(=O)O1
InChIInChI=1S/C7H12O4S/c1-5-6(2)10-12(8,9)11-7(5,3)4/h1-4H3
InChIKeyRESTXYJFTBUTQE-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.35
Rot. Bonds

About 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide

4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide (PubChem CID 146259171) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide.

Molecular Properties

Compound Name4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide
PubChem CID146259171
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide
SMILESCC1=C(C)C(C)(C)OS(=O)(=O)O1
InChIInChI=1S/C7H12O4S/c1-5-6(2)10-12(8,9)11-7(5,3)4/h1-4H3
InChIKeyRESTXYJFTBUTQE-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide?
The IUPAC name of 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide (CID 146259171) is 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide.
What is the SMILES notation for 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide?
The canonical SMILES for 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide is CC1=C(C)C(C)(C)OS(=O)(=O)O1.
What is the InChIKey of 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide?
The InChIKey is RESTXYJFTBUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-5-6(2)10-12(8,9)11-7(5,3)4/h1-4H3.
What are the key properties of 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide?
4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide has a molecular weight of 192.24 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6-tetramethyl-1,3,2-dioxathiine 2,2-dioxide is sourced from PubChem (CID 146259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).