CID 59905342

C₃₇H₇₁N₄O₆Si — CID 59905342

About CID 59905342

CID 59905342 (PubChem CID 59905342) has the molecular formula C₃₇H₇₁N₄O₆Si and a molecular weight of 696.08 g/mol.

Molecular Properties

• Compound Name: CID 59905342
• PubChem CID: 59905342
• Molecular Formula: C₃₇H₇₁N₄O₆Si
• Molecular Weight: 696.08 g/mol
• Exact Mass: 695.51
• IUPAC Name: —
• SMILES: CCCCCCC1C=C(CCCCCCCC(=O)N(CC[NH])CCCNC(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1
• InChI: InChI=1S/C37H71N4O6Si/c1-6-10-11-15-20-33-29-34(31-35(30-33)32(5)42)21-16-13-12-14-17-22-36(43)41(27-23-38)26-18-24-39-37(44)40-25-19-28-48(45-7-2,46-8-3)47-9-4/h29,33,35,38H,6-28,30-31H2,1-5H3,(H2,39,40,44)
• InChIKey: BKTFHUNANHDSJL-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 130.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.08
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 CID 59905342?

The IUPAC name of CID 59905342 (CID 59905342) is not available.

What is the SMILES notation for CID 59905342?

The canonical SMILES for CID 59905342 is CCCCCCC1C=C(CCCCCCCC(=O)N(CC[NH])CCCNC(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.

What is the InChIKey of CID 59905342?

The InChIKey is BKTFHUNANHDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H71N4O6Si/c1-6-10-11-15-20-33-29-34(31-35(30-33)32(5)42)21-16-13-12-14-17-22-36(43)41(27-23-38)26-18-24-39-37(44)40-25-19-28-48(45-7-2,46-8-3)47-9-4/h29,33,35,38H,6-28,30-31H2,1-5H3,(H2,39,40,44).

What are the key properties of CID 59905342?

CID 59905342 has a molecular weight of 696.08 g/mol, XLogP of 7.47, 30 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 59905342 is sourced from PubChem (CID 59905342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59905342 — identifiers, structure, computed properties (public domain)

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