2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane

C9H18O4S — CID 66473770

IUPAC2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
SMILESCC(C)S(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C9H18O4S/c1-8(2)14(10,11)7-4-9-12-5-3-6-13-9/h8-9H,3-7H2,1-2H3
InChIKeyFDZDXZJBPVKJLS-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane

2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane (PubChem CID 66473770) has the molecular formula C9H18O4S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
PubChem CID66473770
Molecular FormulaC9H18O4S
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
SMILESCC(C)S(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C9H18O4S/c1-8(2)14(10,11)7-4-9-12-5-3-6-13-9/h8-9H,3-7H2,1-2H3
InChIKeyFDZDXZJBPVKJLS-UHFFFAOYSA-N
XLogP0.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
The IUPAC name of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane (CID 66473770) is 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
The canonical SMILES for 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane is CC(C)S(=O)(=O)CCC1OCCCO1.
What is the InChIKey of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
The InChIKey is FDZDXZJBPVKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S/c1-8(2)14(10,11)7-4-9-12-5-3-6-13-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane?
2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane has a molecular weight of 222.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane is sourced from PubChem (CID 66473770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).