2-(butan-2-yloxydisulfanyl)oxybutane

C8H18O2S2 — CID 25268411

IUPAC2-(butan-2-yloxydisulfanyl)oxybutane
SMILESCCC(C)OSSOC(C)CC
InChIInChI=1S/C8H18O2S2/c1-5-7(3)9-11-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyCOZUQRLRJAMOQV-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.83
Rot. Bonds7

About 2-(butan-2-yloxydisulfanyl)oxybutane

2-(butan-2-yloxydisulfanyl)oxybutane (PubChem CID 25268411) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(butan-2-yloxydisulfanyl)oxybutane.

Molecular Properties

Compound Name2-(butan-2-yloxydisulfanyl)oxybutane
PubChem CID25268411
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name2-(butan-2-yloxydisulfanyl)oxybutane
SMILESCCC(C)OSSOC(C)CC
InChIInChI=1S/C8H18O2S2/c1-5-7(3)9-11-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyCOZUQRLRJAMOQV-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.83
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-(butan-2-yloxydisulfanyl)oxybutane?
The IUPAC name of 2-(butan-2-yloxydisulfanyl)oxybutane (CID 25268411) is 2-(butan-2-yloxydisulfanyl)oxybutane.
What is the SMILES notation for 2-(butan-2-yloxydisulfanyl)oxybutane?
The canonical SMILES for 2-(butan-2-yloxydisulfanyl)oxybutane is CCC(C)OSSOC(C)CC.
What is the InChIKey of 2-(butan-2-yloxydisulfanyl)oxybutane?
The InChIKey is COZUQRLRJAMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-5-7(3)9-11-12-10-8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(butan-2-yloxydisulfanyl)oxybutane?
2-(butan-2-yloxydisulfanyl)oxybutane has a molecular weight of 210.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxydisulfanyl)oxybutane is sourced from PubChem (CID 25268411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).