2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane

C11H24S2 — CID 140965712

IUPAC2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane
SMILESCC(C)CSSC(C)(C)CC(C)C
InChIInChI=1S/C11H24S2/c1-9(2)7-11(5,6)13-12-8-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyVZFORBWLSZDFIY-UHFFFAOYSA-N
MW220.45 g/mol
LogP4.85
Rot. Bonds6

About 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane

2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane (PubChem CID 140965712) has the molecular formula C11H24S2 and a molecular weight of 220.45 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane.

Molecular Properties

Compound Name2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane
PubChem CID140965712
Molecular FormulaC11H24S2
Molecular Weight220.45 g/mol
Exact Mass220.13
IUPAC Name2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane
SMILESCC(C)CSSC(C)(C)CC(C)C
InChIInChI=1S/C11H24S2/c1-9(2)7-11(5,6)13-12-8-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyVZFORBWLSZDFIY-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane?
The IUPAC name of 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane (CID 140965712) is 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane.
What is the SMILES notation for 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane?
The canonical SMILES for 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane is CC(C)CSSC(C)(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane?
The InChIKey is VZFORBWLSZDFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S2/c1-9(2)7-11(5,6)13-12-8-10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane?
2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane has a molecular weight of 220.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2-methylpropyldisulfanyl)pentane is sourced from PubChem (CID 140965712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).