3-[(ethyldisulfanyl)methyl]pentane

C8H18S2 — CID 118227078

IUPAC3-[(ethyldisulfanyl)methyl]pentane
SMILESCCSSCC(CC)CC
InChIInChI=1S/C8H18S2/c1-4-8(5-2)7-10-9-6-3/h8H,4-7H2,1-3H3
InChIKeyOXOSNCOGTYOWHR-UHFFFAOYSA-N
MW178.37 g/mol
LogP3.82
Rot. Bonds6

About 3-[(ethyldisulfanyl)methyl]pentane

3-[(ethyldisulfanyl)methyl]pentane (PubChem CID 118227078) has the molecular formula C8H18S2 and a molecular weight of 178.37 g/mol. Its IUPAC name is 3-[(ethyldisulfanyl)methyl]pentane.

Molecular Properties

Compound Name3-[(ethyldisulfanyl)methyl]pentane
PubChem CID118227078
Molecular FormulaC8H18S2
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name3-[(ethyldisulfanyl)methyl]pentane
SMILESCCSSCC(CC)CC
InChIInChI=1S/C8H18S2/c1-4-8(5-2)7-10-9-6-3/h8H,4-7H2,1-3H3
InChIKeyOXOSNCOGTYOWHR-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(ethyldisulfanyl)methyl]pentane?
The IUPAC name of 3-[(ethyldisulfanyl)methyl]pentane (CID 118227078) is 3-[(ethyldisulfanyl)methyl]pentane.
What is the SMILES notation for 3-[(ethyldisulfanyl)methyl]pentane?
The canonical SMILES for 3-[(ethyldisulfanyl)methyl]pentane is CCSSCC(CC)CC.
What is the InChIKey of 3-[(ethyldisulfanyl)methyl]pentane?
The InChIKey is OXOSNCOGTYOWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2/c1-4-8(5-2)7-10-9-6-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-[(ethyldisulfanyl)methyl]pentane?
3-[(ethyldisulfanyl)methyl]pentane has a molecular weight of 178.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethyldisulfanyl)methyl]pentane is sourced from PubChem (CID 118227078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).