2-(tert-butyldisulfanyl)-3-methylpentane

C10H22S2 — CID 170145664

IUPAC2-(tert-butyldisulfanyl)-3-methylpentane
SMILESCCC(C)C(C)SSC(C)(C)C
InChIInChI=1S/C10H22S2/c1-7-8(2)9(3)11-12-10(4,5)6/h8-9H,7H2,1-6H3
InChIKeyZBYPIUIRLOBROP-UHFFFAOYSA-N
MW206.42 g/mol
LogP4.60
Rot. Bonds4

About 2-(tert-butyldisulfanyl)-3-methylpentane

2-(tert-butyldisulfanyl)-3-methylpentane (PubChem CID 170145664) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is 2-(tert-butyldisulfanyl)-3-methylpentane.

Molecular Properties

Compound Name2-(tert-butyldisulfanyl)-3-methylpentane
PubChem CID170145664
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Name2-(tert-butyldisulfanyl)-3-methylpentane
SMILESCCC(C)C(C)SSC(C)(C)C
InChIInChI=1S/C10H22S2/c1-7-8(2)9(3)11-12-10(4,5)6/h8-9H,7H2,1-6H3
InChIKeyZBYPIUIRLOBROP-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 54.60
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-(tert-butyldisulfanyl)-3-methylpentane?
The IUPAC name of 2-(tert-butyldisulfanyl)-3-methylpentane (CID 170145664) is 2-(tert-butyldisulfanyl)-3-methylpentane.
What is the SMILES notation for 2-(tert-butyldisulfanyl)-3-methylpentane?
The canonical SMILES for 2-(tert-butyldisulfanyl)-3-methylpentane is CCC(C)C(C)SSC(C)(C)C.
What is the InChIKey of 2-(tert-butyldisulfanyl)-3-methylpentane?
The InChIKey is ZBYPIUIRLOBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2/c1-7-8(2)9(3)11-12-10(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of 2-(tert-butyldisulfanyl)-3-methylpentane?
2-(tert-butyldisulfanyl)-3-methylpentane has a molecular weight of 206.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butyldisulfanyl)-3-methylpentane is sourced from PubChem (CID 170145664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).