4-methyl-4-(2-methylpropylsulfonyl)oxane

C10H20O3S — CID 58814935

IUPAC4-methyl-4-(2-methylpropylsulfonyl)oxane
SMILESCC(C)CS(=O)(=O)C1(C)CCOCC1
InChIInChI=1S/C10H20O3S/c1-9(2)8-14(11,12)10(3)4-6-13-7-5-10/h9H,4-8H2,1-3H3
InChIKeyFRXMLKGSARVHLX-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds3

About 4-methyl-4-(2-methylpropylsulfonyl)oxane

4-methyl-4-(2-methylpropylsulfonyl)oxane (PubChem CID 58814935) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-methyl-4-(2-methylpropylsulfonyl)oxane.

Molecular Properties

Compound Name4-methyl-4-(2-methylpropylsulfonyl)oxane
PubChem CID58814935
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-methyl-4-(2-methylpropylsulfonyl)oxane
SMILESCC(C)CS(=O)(=O)C1(C)CCOCC1
InChIInChI=1S/C10H20O3S/c1-9(2)8-14(11,12)10(3)4-6-13-7-5-10/h9H,4-8H2,1-3H3
InChIKeyFRXMLKGSARVHLX-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylpropylsulfonyl)oxane?
The IUPAC name of 4-methyl-4-(2-methylpropylsulfonyl)oxane (CID 58814935) is 4-methyl-4-(2-methylpropylsulfonyl)oxane.
What is the SMILES notation for 4-methyl-4-(2-methylpropylsulfonyl)oxane?
The canonical SMILES for 4-methyl-4-(2-methylpropylsulfonyl)oxane is CC(C)CS(=O)(=O)C1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-(2-methylpropylsulfonyl)oxane?
The InChIKey is FRXMLKGSARVHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-9(2)8-14(11,12)10(3)4-6-13-7-5-10/h9H,4-8H2,1-3H3.
What are the key properties of 4-methyl-4-(2-methylpropylsulfonyl)oxane?
4-methyl-4-(2-methylpropylsulfonyl)oxane has a molecular weight of 220.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylpropylsulfonyl)oxane is sourced from PubChem (CID 58814935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).