Hydroxy-dimethyl-octadecyl-λ4-sulfane

C₂₀H₄₄OS — CID 163231362

About Hydroxy-dimethyl-octadecyl-λ4-sulfane

Hydroxy-dimethyl-octadecyl-λ4-sulfane (PubChem CID 163231362) has the molecular formula C₂₀H₄₄OS and a molecular weight of 332.64 g/mol. Its IUPAC name is hydroxy-dimethyl-octadecyl-λ4-sulfane.

Molecular Properties

• Compound Name: Hydroxy-dimethyl-octadecyl-λ4-sulfane
• PubChem CID: 163231362
• Molecular Formula: C₂₀H₄₄OS
• Molecular Weight: 332.64 g/mol
• Exact Mass: 332.31
• IUPAC Name: hydroxy-dimethyl-octadecyl-λ4-sulfane
• SMILES: CCCCCCCCCCCCCCCCCCS(C)(C)O
• InChI: InChI=1S/C20H44OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h21H,4-20H2,1-3H3
• InChIKey: NHZLOAUKLHPNLF-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	332.64
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Hydroxy-dimethyl-octadecyl-λ4-sulfane?

The IUPAC name of Hydroxy-dimethyl-octadecyl-λ4-sulfane (CID 163231362) is hydroxy-dimethyl-octadecyl-λ4-sulfane.

What is the SMILES notation for Hydroxy-dimethyl-octadecyl-λ4-sulfane?

The canonical SMILES for Hydroxy-dimethyl-octadecyl-λ4-sulfane is CCCCCCCCCCCCCCCCCCS(C)(C)O.

What is the InChIKey of Hydroxy-dimethyl-octadecyl-λ4-sulfane?

The InChIKey is NHZLOAUKLHPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h21H,4-20H2,1-3H3.

What are the key properties of Hydroxy-dimethyl-octadecyl-λ4-sulfane?

Hydroxy-dimethyl-octadecyl-λ4-sulfane has a molecular weight of 332.64 g/mol, XLogP of 7.79, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Hydroxy-dimethyl-octadecyl-λ4-sulfane is sourced from PubChem (CID 163231362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163231362 — identifiers, structure, computed properties (public domain)

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