2-(octan-2-yldisulfanyl)octane

C16H34S2 — CID 5120252

IUPAC2-(octan-2-yldisulfanyl)octane
SMILESCCCCCCC(C)SSC(C)CCCCCC
InChIInChI=1S/C16H34S2/c1-5-7-9-11-13-15(3)17-18-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyHHGSQJRQNHLUNP-UHFFFAOYSA-N
MW290.58 g/mol
LogP7.09
Rot. Bonds13

About 2-(octan-2-yldisulfanyl)octane

2-(octan-2-yldisulfanyl)octane (PubChem CID 5120252) has the molecular formula C16H34S2 and a molecular weight of 290.58 g/mol. Its IUPAC name is 2-(octan-2-yldisulfanyl)octane.

Molecular Properties

Compound Name2-(octan-2-yldisulfanyl)octane
PubChem CID5120252
Molecular FormulaC16H34S2
Molecular Weight290.58 g/mol
Exact Mass290.21
IUPAC Name2-(octan-2-yldisulfanyl)octane
SMILESCCCCCCC(C)SSC(C)CCCCCC
InChIInChI=1S/C16H34S2/c1-5-7-9-11-13-15(3)17-18-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyHHGSQJRQNHLUNP-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.58
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methyldisulfanyl)hexane
CID 118070757
2-(2-methylbutan-2-yldisulfanyl)heptane
CID 118070747
triethyl(hexadecan-2-yl)azanium
CID 87135879
triethyl(octan-2-yl)azanium
CID 57165770
2-methyloctacosane
CID 519147
8,9-dimethylhexacosane
CID 160651612
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
16,17-dimethyltritriacontane
CID 91506561

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-yldisulfanyl)octane?
The IUPAC name of 2-(octan-2-yldisulfanyl)octane (CID 5120252) is 2-(octan-2-yldisulfanyl)octane.
What is the SMILES notation for 2-(octan-2-yldisulfanyl)octane?
The canonical SMILES for 2-(octan-2-yldisulfanyl)octane is CCCCCCC(C)SSC(C)CCCCCC.
What is the InChIKey of 2-(octan-2-yldisulfanyl)octane?
The InChIKey is HHGSQJRQNHLUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34S2/c1-5-7-9-11-13-15(3)17-18-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-(octan-2-yldisulfanyl)octane?
2-(octan-2-yldisulfanyl)octane has a molecular weight of 290.58 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-yldisulfanyl)octane is sourced from PubChem (CID 5120252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).