2-(3-methylpentan-3-ylsulfonyl)oxane

C11H22O3S — CID 69096187

IUPAC2-(3-methylpentan-3-ylsulfonyl)oxane
SMILESCCC(C)(CC)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C11H22O3S/c1-4-11(3,5-2)15(12,13)10-8-6-7-9-14-10/h10H,4-9H2,1-3H3
InChIKeyGMIQNGWMFJXRBF-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.51
Rot. Bonds4

About 2-(3-methylpentan-3-ylsulfonyl)oxane

2-(3-methylpentan-3-ylsulfonyl)oxane (PubChem CID 69096187) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylsulfonyl)oxane.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylsulfonyl)oxane
PubChem CID69096187
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name2-(3-methylpentan-3-ylsulfonyl)oxane
SMILESCCC(C)(CC)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C11H22O3S/c1-4-11(3,5-2)15(12,13)10-8-6-7-9-14-10/h10H,4-9H2,1-3H3
InChIKeyGMIQNGWMFJXRBF-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl tetrahydropyranyl sulfone
CID 69274484
3-Methylsulfonyloxane
CID 13863164
(3R)-3-methylsulfonyloxane
CID 15939413
2,2,4,6-Tetramethyl-1,3-oxathiane 3,3-dioxide
CID 20634299
2-Butyl-1,4-oxathiane 4,4-dioxide
CID 21102832
4-(Methoxymethyl)thiane 1,1-dioxide
CID 57609412
4-(Methylsulfonyl)tetrahydro-2H-pyran
CID 57763198
4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
(2R)-2-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane
CID 58042605
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-Methyl-4-methylsulfonyloxane
CID 58169936
4-Cyclopropylsulfonyl-4-methyloxane
CID 58169937

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylsulfonyl)oxane?
The IUPAC name of 2-(3-methylpentan-3-ylsulfonyl)oxane (CID 69096187) is 2-(3-methylpentan-3-ylsulfonyl)oxane.
What is the SMILES notation for 2-(3-methylpentan-3-ylsulfonyl)oxane?
The canonical SMILES for 2-(3-methylpentan-3-ylsulfonyl)oxane is CCC(C)(CC)S(=O)(=O)C1CCCCO1.
What is the InChIKey of 2-(3-methylpentan-3-ylsulfonyl)oxane?
The InChIKey is GMIQNGWMFJXRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-4-11(3,5-2)15(12,13)10-8-6-7-9-14-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-ylsulfonyl)oxane?
2-(3-methylpentan-3-ylsulfonyl)oxane has a molecular weight of 234.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylsulfonyl)oxane is sourced from PubChem (CID 69096187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).