Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane

C₂₂H₃₈OSi — CID 11359968

About Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane

Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane (PubChem CID 11359968) has the molecular formula C₂₂H₃₈OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
• PubChem CID: 11359968
• Molecular Formula: C₂₂H₃₈OSi
• Molecular Weight: 346.63 g/mol
• Exact Mass: 346.27
• IUPAC Name: tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
• SMILES: CCCCCC#CCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h17-18H,7-10,13-14,19-21H2,1-6H3/b18-17+
• InChIKey: MHJAGPYWGJBIFR-ISLYRVAYSA-N
• XLogP: 6.71
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.63
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?

The IUPAC name of Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane (CID 11359968) is tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane.

What is the SMILES notation for Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?

The canonical SMILES for Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane is CCCCCC#CCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?

The InChIKey is MHJAGPYWGJBIFR-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h17-18H,7-10,13-14,19-21H2,1-6H3/b18-17+.

What are the key properties of Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?

Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane is sourced from PubChem (CID 11359968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11359968 — identifiers, structure, computed properties (public domain)

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