4-(2,3-dimethylbutan-2-ylsulfonyl)oxane

C11H22O3S — CID 59253265

IUPAC4-(2,3-dimethylbutan-2-ylsulfonyl)oxane
SMILESCC(C)C(C)(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22O3S/c1-9(2)11(3,4)15(12,13)10-5-7-14-8-6-10/h9-10H,5-8H2,1-4H3
InChIKeyWQEGBINXXJCFGY-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.01
Rot. Bonds3

About 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane

4-(2,3-dimethylbutan-2-ylsulfonyl)oxane (PubChem CID 59253265) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-ylsulfonyl)oxane
PubChem CID59253265
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-(2,3-dimethylbutan-2-ylsulfonyl)oxane
SMILESCC(C)C(C)(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22O3S/c1-9(2)11(3,4)15(12,13)10-5-7-14-8-6-10/h9-10H,5-8H2,1-4H3
InChIKeyWQEGBINXXJCFGY-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hex-5-ynyl-5-propan-2-yl-1,3-oxathiane 3,3-dioxide
CID 19990635
4-(Methoxymethyl)thiane 1,1-dioxide
CID 57609412
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-Cyclopropylsulfonyl-4-methyloxane
CID 58169937
4-(2,3,3-Trimethylbutan-2-ylsulfonyl)oxane
CID 58201682
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide
CID 58271293
(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561976
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
3-(Methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814892

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane?
The IUPAC name of 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane (CID 59253265) is 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane?
The canonical SMILES for 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane is CC(C)C(C)(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane?
The InChIKey is WQEGBINXXJCFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-9(2)11(3,4)15(12,13)10-5-7-14-8-6-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane?
4-(2,3-dimethylbutan-2-ylsulfonyl)oxane has a molecular weight of 234.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-ylsulfonyl)oxane is sourced from PubChem (CID 59253265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).