5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane

C24H50S5 — CID 91997890

IUPAC5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane
SMILESCC(C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C24H50S5/c1-17(21(9,10)19(3,4)5)23(13,14)25-27-29-28-26-24(15,16)18(2)22(11,12)20(6,7)8/h17-18H,1-16H3
InChIKeyDUSWAJDANSZRTP-UHFFFAOYSA-N
MW499.00 g/mol
LogP11.29
Rot. Bonds10

About 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane

5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane (PubChem CID 91997890) has the molecular formula C24H50S5 and a molecular weight of 499.00 g/mol. Its IUPAC name is 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane.

Molecular Properties

Compound Name5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane
PubChem CID91997890
Molecular FormulaC24H50S5
Molecular Weight499.00 g/mol
Exact Mass498.25
IUPAC Name5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane
SMILESCC(C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C24H50S5/c1-17(21(9,10)19(3,4)5)23(13,14)25-27-29-28-26-24(15,16)18(2)22(11,12)20(6,7)8/h17-18H,1-16H3
InChIKeyDUSWAJDANSZRTP-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.00
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane?
The IUPAC name of 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane (CID 91997890) is 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane.
What is the SMILES notation for 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane?
The canonical SMILES for 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane is CC(C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C.
What is the InChIKey of 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane?
The InChIKey is DUSWAJDANSZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50S5/c1-17(21(9,10)19(3,4)5)23(13,14)25-27-29-28-26-24(15,16)18(2)22(11,12)20(6,7)8/h17-18H,1-16H3.
What are the key properties of 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane?
5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane has a molecular weight of 499.00 g/mol, XLogP of 11.29, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane is sourced from PubChem (CID 91997890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).