2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane

C16H34S2 — CID 141460643

IUPAC2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane
SMILESCCC(C)(SSC(C)(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34S2/c1-11-15(9,13(3,4)5)17-18-16(10,12-2)14(6,7)8/h11-12H2,1-10H3
InChIKeyVBBDPHXCVIIYGY-UHFFFAOYSA-N
MW290.58 g/mol
LogP6.80
Rot. Bonds5

About 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane

2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane (PubChem CID 141460643) has the molecular formula C16H34S2 and a molecular weight of 290.58 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane
PubChem CID141460643
Molecular FormulaC16H34S2
Molecular Weight290.58 g/mol
Exact Mass290.21
IUPAC Name2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane
SMILESCCC(C)(SSC(C)(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34S2/c1-11-15(9,13(3,4)5)17-18-16(10,12-2)14(6,7)8/h11-12H2,1-10H3
InChIKeyVBBDPHXCVIIYGY-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.58
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane (CID 141460643) is 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane is CCC(C)(SSC(C)(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane?
The InChIKey is VBBDPHXCVIIYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34S2/c1-11-15(9,13(3,4)5)17-18-16(10,12-2)14(6,7)8/h11-12H2,1-10H3.
What are the key properties of 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane?
2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane has a molecular weight of 290.58 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane is sourced from PubChem (CID 141460643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).