WUKHSVYIESBDSD-GSLRCMBYSA-N

C₁₈H₂₀ClF₄N₄O₅Si — CID 155714396

About WUKHSVYIESBDSD-GSLRCMBYSA-N

WUKHSVYIESBDSD-GSLRCMBYSA-N (PubChem CID 155714396) has the molecular formula C₁₈H₂₀ClF₄N₄O₅Si and a molecular weight of 511.91 g/mol.

Molecular Properties

• Compound Name: WUKHSVYIESBDSD-GSLRCMBYSA-N
• PubChem CID: 155714396
• Molecular Formula: C₁₈H₂₀ClF₄N₄O₅Si
• Molecular Weight: 511.91 g/mol
• Exact Mass: 511.08
• IUPAC Name: —
• SMILES: CN1C[Si](NC(=O)COc2ccc(Cl)c(F)c2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1
• InChI: InChI=1S/C18H20ClF4N4O5Si/c1-27-10-33(26-15(28)9-30-11-2-3-12(19)13(20)8-11)7-4-14(27)16-24-25-17(32-16)29-5-6-31-18(21,22)23/h2-3,8,14H,4-7,9-10H2,1H3,(H,26,28)/t14-/m1/s1
• InChIKey: GXOUNVJYVXSJND-CQSZACIVSA-N
• XLogP: 2.88
• TPSA: 98.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.91
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of WUKHSVYIESBDSD-GSLRCMBYSA-N?

The IUPAC name of WUKHSVYIESBDSD-GSLRCMBYSA-N (CID 155714396) is not available.

What is the SMILES notation for WUKHSVYIESBDSD-GSLRCMBYSA-N?

The canonical SMILES for WUKHSVYIESBDSD-GSLRCMBYSA-N is CN1C[Si](NC(=O)COc2ccc(Cl)c(F)c2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1.

What is the InChIKey of WUKHSVYIESBDSD-GSLRCMBYSA-N?

The InChIKey is GXOUNVJYVXSJND-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClF4N4O5Si/c1-27-10-33(26-15(28)9-30-11-2-3-12(19)13(20)8-11)7-4-14(27)16-24-25-17(32-16)29-5-6-31-18(21,22)23/h2-3,8,14H,4-7,9-10H2,1H3,(H,26,28)/t14-/m1/s1.

What are the key properties of WUKHSVYIESBDSD-GSLRCMBYSA-N?

WUKHSVYIESBDSD-GSLRCMBYSA-N has a molecular weight of 511.91 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for WUKHSVYIESBDSD-GSLRCMBYSA-N is sourced from PubChem (CID 155714396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155714396 — identifiers, structure, computed properties (public domain)

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