tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane

C10H24OS — CID 123846964

IUPACtert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane
SMILESCC(C)(C)OS(C)(C)C(C)(C)C
InChIInChI=1S/C10H24OS/c1-9(2,3)11-12(7,8)10(4,5)6/h1-8H3
InChIKeyCASMLAQLULRXTF-UHFFFAOYSA-N
MW192.37 g/mol
LogP3.58
Rot. Bonds1

About tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane

tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane (PubChem CID 123846964) has the molecular formula C10H24OS and a molecular weight of 192.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane
PubChem CID123846964
Molecular FormulaC10H24OS
Molecular Weight192.37 g/mol
Exact Mass192.15
IUPAC Nametert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane
SMILESCC(C)(C)OS(C)(C)C(C)(C)C
InChIInChI=1S/C10H24OS/c1-9(2,3)11-12(7,8)10(4,5)6/h1-8H3
InChIKeyCASMLAQLULRXTF-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
The IUPAC name of tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane (CID 123846964) is tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
The canonical SMILES for tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane is CC(C)(C)OS(C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
The InChIKey is CASMLAQLULRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24OS/c1-9(2,3)11-12(7,8)10(4,5)6/h1-8H3.
What are the key properties of tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane?
tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane has a molecular weight of 192.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-methylpropan-2-yl)oxy]-λ4-sulfane is sourced from PubChem (CID 123846964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).