4-methyl-6-propylsulfonylhexan-2-one

C10H20O3S — CID 106732166

IUPAC4-methyl-6-propylsulfonylhexan-2-one
SMILESCCCS(=O)(=O)CCC(C)CC(C)=O
InChIInChI=1S/C10H20O3S/c1-4-6-14(12,13)7-5-9(2)8-10(3)11/h9H,4-8H2,1-3H3
InChIKeyXHIZFOGFBNCTKE-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.82
Rot. Bonds7

About 4-methyl-6-propylsulfonylhexan-2-one

4-methyl-6-propylsulfonylhexan-2-one (PubChem CID 106732166) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-methyl-6-propylsulfonylhexan-2-one.

Molecular Properties

Compound Name4-methyl-6-propylsulfonylhexan-2-one
PubChem CID106732166
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-methyl-6-propylsulfonylhexan-2-one
SMILESCCCS(=O)(=O)CCC(C)CC(C)=O
InChIInChI=1S/C10H20O3S/c1-4-6-14(12,13)7-5-9(2)8-10(3)11/h9H,4-8H2,1-3H3
InChIKeyXHIZFOGFBNCTKE-UHFFFAOYSA-N
XLogP1.82
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propylsulfonylhexan-2-one?
The IUPAC name of 4-methyl-6-propylsulfonylhexan-2-one (CID 106732166) is 4-methyl-6-propylsulfonylhexan-2-one.
What is the SMILES notation for 4-methyl-6-propylsulfonylhexan-2-one?
The canonical SMILES for 4-methyl-6-propylsulfonylhexan-2-one is CCCS(=O)(=O)CCC(C)CC(C)=O.
What is the InChIKey of 4-methyl-6-propylsulfonylhexan-2-one?
The InChIKey is XHIZFOGFBNCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-4-6-14(12,13)7-5-9(2)8-10(3)11/h9H,4-8H2,1-3H3.
What are the key properties of 4-methyl-6-propylsulfonylhexan-2-one?
4-methyl-6-propylsulfonylhexan-2-one has a molecular weight of 220.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propylsulfonylhexan-2-one is sourced from PubChem (CID 106732166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).