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

C24H50S5 — CID 131634125

IUPAC2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)SSSSSC(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C24H50S5/c1-17(2)19(5,6)21(9,10)23(13,14)25-27-29-28-26-24(15,16)22(11,12)20(7,8)18(3)4/h17-18H,1-16H3
InChIKeyGXDXFLGLHULSAC-UHFFFAOYSA-N
MW499.00 g/mol
LogP11.29
Rot. Bonds12

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

2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane (PubChem CID 131634125) has the molecular formula C24H50S5 and a molecular weight of 499.00 g/mol. Its IUPAC name is 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane.

Molecular Properties

Compound Name2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane
PubChem CID131634125
Molecular FormulaC24H50S5
Molecular Weight499.00 g/mol
Exact Mass498.25
IUPAC Name2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)SSSSSC(C)(C)C(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C24H50S5/c1-17(2)19(5,6)21(9,10)23(13,14)25-27-29-28-26-24(15,16)22(11,12)20(7,8)18(3)4/h17-18H,1-16H3
InChIKeyGXDXFLGLHULSAC-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
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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Related Compounds

2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
CID 58764501
2,2,3,3,4,4,5,5,6-nonamethylheptane
CID 18709544
5-(2,3,4,4,5,5-hexamethylhexan-2-ylpentasulfanyl)-2,2,3,3,4,5-hexamethylhexane
CID 91997890
2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane
CID 139597093
CID 174068229
CID 174068229
2,4,4,5-tetramethyl-3-propan-2-ylhexan-3-ol
CID 142313824
2,3,3,4,4,5,5,6-octamethylheptan-2-yl(silyloxy)silane
CID 123336820
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
CID 131993511
methyl(2,3,3,4-tetramethylpentan-2-yl)phosphane
CID 123551419
3,3,4,4,5-pentamethylhex-1-ene
CID 23384855
2,2,3,3,4-pentamethylpentanal
CID 87784908
3,4,4,5-tetramethyl-3-propan-2-ylhexanoic acid
CID 175043512

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane?
The IUPAC name of 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane (CID 131634125) is 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane.
What is the SMILES notation for 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane?
The canonical SMILES for 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane is CC(C)C(C)(C)C(C)(C)C(C)(C)SSSSSC(C)(C)C(C)(C)C(C)(C)C(C)C.
What is the InChIKey of 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane?
The InChIKey is GXDXFLGLHULSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50S5/c1-17(2)19(5,6)21(9,10)23(13,14)25-27-29-28-26-24(15,16)22(11,12)20(7,8)18(3)4/h17-18H,1-16H3.
What are the key properties of 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane?
2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane has a molecular weight of 499.00 g/mol, XLogP of 11.29, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,4,4,5-hexamethylhexan-2-ylpentasulfanyl)-2,3,3,4,4,5-hexamethylhexane is sourced from PubChem (CID 131634125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).