1-(butoxydisulfanyl)oxybutane

C8H18O2S2 — CID 14251686

IUPAC1-(butoxydisulfanyl)oxybutane
SMILESCCCCOSSOCCCC
InChIInChI=1S/C8H18O2S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H2,1-2H3
InChIKeyDMOOXBVIMYQNBE-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.83
Rot. Bonds9

About 1-(butoxydisulfanyl)oxybutane

1-(butoxydisulfanyl)oxybutane (PubChem CID 14251686) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(butoxydisulfanyl)oxybutane.

Molecular Properties

Compound Name1-(butoxydisulfanyl)oxybutane
PubChem CID14251686
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name1-(butoxydisulfanyl)oxybutane
SMILESCCCCOSSOCCCC
InChIInChI=1S/C8H18O2S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H2,1-2H3
InChIKeyDMOOXBVIMYQNBE-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

Aluminum butylate
CID 6451513
Dibutyl peroxide
CID 77458
Butyl sulfite
CID 69384
Disulfide, dipropoxy
CID 316389
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Lead dibutanolate
CID 6455035
1-Butanol, magnesium salt (2:1)
CID 167494
2-(Butan-2-yloxydisulfanyl)oxybutane
CID 25268411
(2R)-2-[[(2R)-butan-2-yl]oxydisulfanyl]oxybutane
CID 59444442
(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane
CID 59444445
Antimony(III)butoxide
CID 16693615
Isobutoxydisulfide
CID 10584596

Frequently Asked Questions

What is the IUPAC name of 1-(butoxydisulfanyl)oxybutane?
The IUPAC name of 1-(butoxydisulfanyl)oxybutane (CID 14251686) is 1-(butoxydisulfanyl)oxybutane.
What is the SMILES notation for 1-(butoxydisulfanyl)oxybutane?
The canonical SMILES for 1-(butoxydisulfanyl)oxybutane is CCCCOSSOCCCC.
What is the InChIKey of 1-(butoxydisulfanyl)oxybutane?
The InChIKey is DMOOXBVIMYQNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-(butoxydisulfanyl)oxybutane?
1-(butoxydisulfanyl)oxybutane has a molecular weight of 210.36 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxydisulfanyl)oxybutane is sourced from PubChem (CID 14251686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).