RPEYMABNPPGSRV-UHFFFAOYSA-N

C₂₇H₄₀O₂Si — CID 91732721

About RPEYMABNPPGSRV-UHFFFAOYSA-N

RPEYMABNPPGSRV-UHFFFAOYSA-N (PubChem CID 91732721) has the molecular formula C₂₇H₄₀O₂Si and a molecular weight of 424.70 g/mol. Its IUPAC name is decoxy-pent-4-enoxy-diphenylsilane.

Molecular Properties

• Compound Name: RPEYMABNPPGSRV-UHFFFAOYSA-N
• PubChem CID: 91732721
• Molecular Formula: C₂₇H₄₀O₂Si
• Molecular Weight: 424.70 g/mol
• Exact Mass: 424.28
• IUPAC Name: decoxy-pent-4-enoxy-diphenylsilane
• SMILES: C=CCCCO[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H40O2Si/c1-3-5-7-8-9-10-11-19-25-29-30(28-24-18-6-4-2,26-20-14-12-15-21-26)27-22-16-13-17-23-27/h4,12-17,20-23H,2-3,5-11,18-19,24-25H2,1H3
• InChIKey: RPEYMABNPPGSRV-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.70
LogP ≤ 5	6.38
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RPEYMABNPPGSRV-UHFFFAOYSA-N?

The IUPAC name of RPEYMABNPPGSRV-UHFFFAOYSA-N (CID 91732721) is decoxy-pent-4-enoxy-diphenylsilane.

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

The canonical SMILES for RPEYMABNPPGSRV-UHFFFAOYSA-N is C=CCCCO[Si](OCCCCCCCCCC)(c1ccccc1)c1ccccc1.

What is the InChIKey of RPEYMABNPPGSRV-UHFFFAOYSA-N?

The InChIKey is RPEYMABNPPGSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2Si/c1-3-5-7-8-9-10-11-19-25-29-30(28-24-18-6-4-2,26-20-14-12-15-21-26)27-22-16-13-17-23-27/h4,12-17,20-23H,2-3,5-11,18-19,24-25H2,1H3.

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

RPEYMABNPPGSRV-UHFFFAOYSA-N has a molecular weight of 424.70 g/mol, XLogP of 6.38, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for RPEYMABNPPGSRV-UHFFFAOYSA-N is sourced from PubChem (CID 91732721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91732721 — identifiers, structure, computed properties (public domain)

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