Dichloro(28-chlorooctacosyl)silane

C₂₈H₅₇Cl₃Si — CID 173136314

About Dichloro(28-chlorooctacosyl)silane

Dichloro(28-chlorooctacosyl)silane (PubChem CID 173136314) has the molecular formula C₂₈H₅₇Cl₃Si and a molecular weight of 528.21 g/mol. Its IUPAC name is dichloro(28-chlorooctacosyl)silane.

Molecular Properties

• Compound Name: Dichloro(28-chlorooctacosyl)silane
• PubChem CID: 173136314
• Molecular Formula: C₂₈H₅₇Cl₃Si
• Molecular Weight: 528.21 g/mol
• Exact Mass: 526.33
• IUPAC Name: dichloro(28-chlorooctacosyl)silane
• SMILES: ClCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
• InChI: InChI=1S/C28H57Cl3Si/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-32(30)31/h32H,1-28H2
• InChIKey: ZQSFLWDGSJCFRJ-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 0.00 Ų
• Rotatable Bonds: 28
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.21
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dichloro(28-chlorooctacosyl)silane?

The IUPAC name of Dichloro(28-chlorooctacosyl)silane (CID 173136314) is dichloro(28-chlorooctacosyl)silane.

What is the SMILES notation for Dichloro(28-chlorooctacosyl)silane?

The canonical SMILES for Dichloro(28-chlorooctacosyl)silane is ClCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl.

What is the InChIKey of Dichloro(28-chlorooctacosyl)silane?

The InChIKey is ZQSFLWDGSJCFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57Cl3Si/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-32(30)31/h32H,1-28H2.

What are the key properties of Dichloro(28-chlorooctacosyl)silane?

Dichloro(28-chlorooctacosyl)silane has a molecular weight of 528.21 g/mol, XLogP of 12.07, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Dichloro(28-chlorooctacosyl)silane is sourced from PubChem (CID 173136314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173136314 — identifiers, structure, computed properties (public domain)

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