GSFGZZFRNHPKSN-UHFFFAOYSA-N

C₂₁H₄₂O₂Si — CID 91742605

About GSFGZZFRNHPKSN-UHFFFAOYSA-N

GSFGZZFRNHPKSN-UHFFFAOYSA-N (PubChem CID 91742605) has the molecular formula C₂₁H₄₂O₂Si and a molecular weight of 354.65 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-tridecoxysilane.

Molecular Properties

• Compound Name: GSFGZZFRNHPKSN-UHFFFAOYSA-N
• PubChem CID: 91742605
• Molecular Formula: C₂₁H₄₂O₂Si
• Molecular Weight: 354.65 g/mol
• Exact Mass: 354.30
• IUPAC Name: hex-4-yn-3-yloxy-dimethyl-tridecoxysilane
• SMILES: CC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCC
• InChI: InChI=1S/C21H42O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(4,5)23-21(8-3)19-7-2/h21H,6,8-18,20H2,1-5H3
• InChIKey: GSFGZZFRNHPKSN-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.65
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 GSFGZZFRNHPKSN-UHFFFAOYSA-N?

The IUPAC name of GSFGZZFRNHPKSN-UHFFFAOYSA-N (CID 91742605) is hex-4-yn-3-yloxy-dimethyl-tridecoxysilane.

What is the SMILES notation for GSFGZZFRNHPKSN-UHFFFAOYSA-N?

The canonical SMILES for GSFGZZFRNHPKSN-UHFFFAOYSA-N is CC#CC(CC)O[Si](C)(C)OCCCCCCCCCCCCC.

What is the InChIKey of GSFGZZFRNHPKSN-UHFFFAOYSA-N?

The InChIKey is GSFGZZFRNHPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(4,5)23-21(8-3)19-7-2/h21H,6,8-18,20H2,1-5H3.

What are the key properties of GSFGZZFRNHPKSN-UHFFFAOYSA-N?

GSFGZZFRNHPKSN-UHFFFAOYSA-N has a molecular weight of 354.65 g/mol, XLogP of 6.83, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for GSFGZZFRNHPKSN-UHFFFAOYSA-N is sourced from PubChem (CID 91742605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91742605 — identifiers, structure, computed properties (public domain)

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