1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea

C29H64N4O6Si6 — CID 59012749

About 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea

1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea (PubChem CID 59012749) has the molecular formula C29H64N4O6Si6 and a molecular weight of 733.37 g/mol. Its IUPAC name is 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea
• PubChem CID: 59012749
• Molecular Formula: C29H64N4O6Si6
• Molecular Weight: 733.37 g/mol
• Exact Mass: 732.34
• IUPAC Name: 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea
• SMILES: Cc1ccc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C29H64N4O6Si6/c1-23-18-19-26(32-28(34)30-21-24(2)44(16,36-40(4,5)6)37-41(7,8)9)20-27(23)33-29(35)31-22-25(3)45(17,38-42(10,11)12)39-43(13,14)15/h18-20,24-25H,21-22H2,1-17H3,(H2,30,32,34)(H2,31,33,35)
• InChIKey: HVLSRJYDUUNEPO-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 119.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.37
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea?

The IUPAC name of 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea (CID 59012749) is 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea.

What is the SMILES notation for 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea?

The canonical SMILES for 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea is Cc1ccc(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea?

The InChIKey is HVLSRJYDUUNEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H64N4O6Si6/c1-23-18-19-26(32-28(34)30-21-24(2)44(16,36-40(4,5)6)37-41(7,8)9)20-27(23)33-29(35)31-22-25(3)45(17,38-42(10,11)12)39-43(13,14)15/h18-20,24-25H,21-22H2,1-17H3,(H2,30,32,34)(H2,31,33,35).

What are the key properties of 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea?

1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea has a molecular weight of 733.37 g/mol, XLogP of 8.57, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea is sourced from PubChem (CID 59012749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).