2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane

C10H22OS — CID 130437816

IUPAC2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane
SMILESCCC(C)(C)OSC(C)(C)CC
InChIInChI=1S/C10H22OS/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
InChIKeyZJJDLQRGFLKKRT-UHFFFAOYSA-N
MW190.35 g/mol
LogP4.03
Rot. Bonds5

About 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane

2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane (PubChem CID 130437816) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane.

Molecular Properties

Compound Name2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane
PubChem CID130437816
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane
SMILESCCC(C)(C)OSC(C)(C)CC
InChIInChI=1S/C10H22OS/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
InChIKeyZJJDLQRGFLKKRT-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane?
The IUPAC name of 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane (CID 130437816) is 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane.
What is the SMILES notation for 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane?
The canonical SMILES for 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane is CCC(C)(C)OSC(C)(C)CC.
What is the InChIKey of 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane?
The InChIKey is ZJJDLQRGFLKKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3.
What are the key properties of 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane?
2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane has a molecular weight of 190.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylbutan-2-ylsulfanyloxy)butane is sourced from PubChem (CID 130437816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).