[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite

C9H19IO2S — CID 146548952

IUPAC[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite
SMILESCC(C)(C)OCCC(C)(C)OSI
InChIInChI=1S/C9H19IO2S/c1-8(2,3)11-7-6-9(4,5)12-13-10/h6-7H2,1-5H3
InChIKeyGUNIATHCJVSQKD-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.98
Rot. Bonds5

About [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite

[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite (PubChem CID 146548952) has the molecular formula C9H19IO2S and a molecular weight of 318.22 g/mol. Its IUPAC name is [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite.

Molecular Properties

Compound Name[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite
PubChem CID146548952
Molecular FormulaC9H19IO2S
Molecular Weight318.22 g/mol
Exact Mass318.02
IUPAC Name[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite
SMILESCC(C)(C)OCCC(C)(C)OSI
InChIInChI=1S/C9H19IO2S/c1-8(2,3)11-7-6-9(4,5)12-13-10/h6-7H2,1-5H3
InChIKeyGUNIATHCJVSQKD-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite?
The IUPAC name of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite (CID 146548952) is [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite.
What is the SMILES notation for [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite?
The canonical SMILES for [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite is CC(C)(C)OCCC(C)(C)OSI.
What is the InChIKey of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite?
The InChIKey is GUNIATHCJVSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IO2S/c1-8(2,3)11-7-6-9(4,5)12-13-10/h6-7H2,1-5H3.
What are the key properties of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite?
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite has a molecular weight of 318.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy thiohypoiodite is sourced from PubChem (CID 146548952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).