1-tert-butyl-4-tert-butylsulfonylbenzene

C14H22O2S — CID 726432

IUPAC1-tert-butyl-4-tert-butylsulfonylbenzene
SMILESCC(C)(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H22O2S/c1-13(2,3)11-7-9-12(10-8-11)17(15,16)14(4,5)6/h7-10H,1-6H3
InChIKeyHGIKUXPOATYUQZ-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.56
Rot. Bonds1

About 1-tert-butyl-4-tert-butylsulfonylbenzene

1-tert-butyl-4-tert-butylsulfonylbenzene (PubChem CID 726432) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-tert-butyl-4-tert-butylsulfonylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-tert-butylsulfonylbenzene
PubChem CID726432
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name1-tert-butyl-4-tert-butylsulfonylbenzene
SMILESCC(C)(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H22O2S/c1-13(2,3)11-7-9-12(10-8-11)17(15,16)14(4,5)6/h7-10H,1-6H3
InChIKeyHGIKUXPOATYUQZ-UHFFFAOYSA-N
XLogP3.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-tert-butylsulfonylbenzene?
The IUPAC name of 1-tert-butyl-4-tert-butylsulfonylbenzene (CID 726432) is 1-tert-butyl-4-tert-butylsulfonylbenzene.
What is the SMILES notation for 1-tert-butyl-4-tert-butylsulfonylbenzene?
The canonical SMILES for 1-tert-butyl-4-tert-butylsulfonylbenzene is CC(C)(C)c1ccc(S(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-tert-butylsulfonylbenzene?
The InChIKey is HGIKUXPOATYUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-13(2,3)11-7-9-12(10-8-11)17(15,16)14(4,5)6/h7-10H,1-6H3.
What are the key properties of 1-tert-butyl-4-tert-butylsulfonylbenzene?
1-tert-butyl-4-tert-butylsulfonylbenzene has a molecular weight of 254.39 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-tert-butylsulfonylbenzene is sourced from PubChem (CID 726432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).