(2-methylpropan-2-yl)oxymethylsulfonylbenzene

C11H16O3S — CID 10868059

IUPAC(2-methylpropan-2-yl)oxymethylsulfonylbenzene
SMILESCC(C)(C)OCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-11(2,3)14-9-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyGTXBWYOZQJPUMP-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.23
Rot. Bonds3

About (2-methylpropan-2-yl)oxymethylsulfonylbenzene

(2-methylpropan-2-yl)oxymethylsulfonylbenzene (PubChem CID 10868059) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethylsulfonylbenzene.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethylsulfonylbenzene
PubChem CID10868059
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name(2-methylpropan-2-yl)oxymethylsulfonylbenzene
SMILESCC(C)(C)OCS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H16O3S/c1-11(2,3)14-9-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyGTXBWYOZQJPUMP-UHFFFAOYSA-N
XLogP2.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxymethylsulfonylbenzene?
The IUPAC name of (2-methylpropan-2-yl)oxymethylsulfonylbenzene (CID 10868059) is (2-methylpropan-2-yl)oxymethylsulfonylbenzene.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethylsulfonylbenzene?
The canonical SMILES for (2-methylpropan-2-yl)oxymethylsulfonylbenzene is CC(C)(C)OCS(=O)(=O)c1ccccc1.
What is the InChIKey of (2-methylpropan-2-yl)oxymethylsulfonylbenzene?
The InChIKey is GTXBWYOZQJPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-11(2,3)14-9-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxymethylsulfonylbenzene?
(2-methylpropan-2-yl)oxymethylsulfonylbenzene has a molecular weight of 228.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethylsulfonylbenzene is sourced from PubChem (CID 10868059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).