2-(propan-2-yloxydisulfanyl)oxypropane

C6H14O2S2 — CID 11052287

IUPAC2-(propan-2-yloxydisulfanyl)oxypropane
SMILESCC(C)OSSOC(C)C
InChIInChI=1S/C6H14O2S2/c1-5(2)7-9-10-8-6(3)4/h5-6H,1-4H3
InChIKeyLFLSKZBPJFHHKW-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.05
Rot. Bonds5

About 2-(propan-2-yloxydisulfanyl)oxypropane

2-(propan-2-yloxydisulfanyl)oxypropane (PubChem CID 11052287) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(propan-2-yloxydisulfanyl)oxypropane.

Molecular Properties

Compound Name2-(propan-2-yloxydisulfanyl)oxypropane
PubChem CID11052287
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name2-(propan-2-yloxydisulfanyl)oxypropane
SMILESCC(C)OSSOC(C)C
InChIInChI=1S/C6H14O2S2/c1-5(2)7-9-10-8-6(3)4/h5-6H,1-4H3
InChIKeyLFLSKZBPJFHHKW-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-(propan-2-yloxydisulfanyl)oxypropane?
The IUPAC name of 2-(propan-2-yloxydisulfanyl)oxypropane (CID 11052287) is 2-(propan-2-yloxydisulfanyl)oxypropane.
What is the SMILES notation for 2-(propan-2-yloxydisulfanyl)oxypropane?
The canonical SMILES for 2-(propan-2-yloxydisulfanyl)oxypropane is CC(C)OSSOC(C)C.
What is the InChIKey of 2-(propan-2-yloxydisulfanyl)oxypropane?
The InChIKey is LFLSKZBPJFHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5(2)7-9-10-8-6(3)4/h5-6H,1-4H3.
What are the key properties of 2-(propan-2-yloxydisulfanyl)oxypropane?
2-(propan-2-yloxydisulfanyl)oxypropane has a molecular weight of 182.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxydisulfanyl)oxypropane is sourced from PubChem (CID 11052287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).