2-methyl-1-(2-methylpropylpentasulfanyl)propane

C8H18S5 — CID 102352530

IUPAC2-methyl-1-(2-methylpropylpentasulfanyl)propane
SMILESCC(C)CSSSSSCC(C)C
InChIInChI=1S/C8H18S5/c1-7(2)5-9-11-13-12-10-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMWQAYDPFJBXASK-UHFFFAOYSA-N
MW274.57 g/mol
LogP5.62
Rot. Bonds8

About 2-methyl-1-(2-methylpropylpentasulfanyl)propane

2-methyl-1-(2-methylpropylpentasulfanyl)propane (PubChem CID 102352530) has the molecular formula C8H18S5 and a molecular weight of 274.57 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylpentasulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylpentasulfanyl)propane
PubChem CID102352530
Molecular FormulaC8H18S5
Molecular Weight274.57 g/mol
Exact Mass274.00
IUPAC Name2-methyl-1-(2-methylpropylpentasulfanyl)propane
SMILESCC(C)CSSSSSCC(C)C
InChIInChI=1S/C8H18S5/c1-7(2)5-9-11-13-12-10-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMWQAYDPFJBXASK-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.57
LogP ≤ 55.62
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-methyl-1-(2-methylpropylpentasulfanyl)propane?
The IUPAC name of 2-methyl-1-(2-methylpropylpentasulfanyl)propane (CID 102352530) is 2-methyl-1-(2-methylpropylpentasulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropylpentasulfanyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropylpentasulfanyl)propane is CC(C)CSSSSSCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylpentasulfanyl)propane?
The InChIKey is MWQAYDPFJBXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S5/c1-7(2)5-9-11-13-12-10-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylpentasulfanyl)propane?
2-methyl-1-(2-methylpropylpentasulfanyl)propane has a molecular weight of 274.57 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylpentasulfanyl)propane is sourced from PubChem (CID 102352530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).