2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane

C18H38S5 — CID 139597093

IUPAC2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane
SMILESCC(C(C)(C)C)C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C18H38S5/c1-13(15(3,4)5)17(9,10)19-21-23-22-20-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3
InChIKeySJERFRLYPYEROR-UHFFFAOYSA-N
MW414.84 g/mol
LogP9.23
Rot. Bonds8

About 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane

2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane (PubChem CID 139597093) has the molecular formula C18H38S5 and a molecular weight of 414.84 g/mol. Its IUPAC name is 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane.

Molecular Properties

Compound Name2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane
PubChem CID139597093
Molecular FormulaC18H38S5
Molecular Weight414.84 g/mol
Exact Mass414.16
IUPAC Name2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane
SMILESCC(C(C)(C)C)C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C18H38S5/c1-13(15(3,4)5)17(9,10)19-21-23-22-20-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3
InChIKeySJERFRLYPYEROR-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.84
LogP ≤ 59.23
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 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane?
The IUPAC name of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane (CID 139597093) is 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane.
What is the SMILES notation for 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane?
The canonical SMILES for 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane is CC(C(C)(C)C)C(C)(C)SSSSSC(C)(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane?
The InChIKey is SJERFRLYPYEROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38S5/c1-13(15(3,4)5)17(9,10)19-21-23-22-20-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3.
What are the key properties of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane?
2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane has a molecular weight of 414.84 g/mol, XLogP of 9.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-ylpentasulfanyl)pentane is sourced from PubChem (CID 139597093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).