2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one

C24H45NO5Si3 — CID 18728748

About 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one

2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one (PubChem CID 18728748) has the molecular formula C24H45NO5Si3 and a molecular weight of 511.88 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
• PubChem CID: 18728748
• Molecular Formula: C24H45NO5Si3
• Molecular Weight: 511.88 g/mol
• Exact Mass: 511.26
• IUPAC Name: 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
• SMILES: CC(COc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C24H45NO5Si3/c1-20(33(10,29-31(4,5)6)30-32(7,8)9)19-28-22-13-11-21(12-14-22)23(26)24(2,3)25-15-17-27-18-16-25/h11-14,20H,15-19H2,1-10H3
• InChIKey: DLZXGYBSUIYTDP-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.88
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
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 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one?

The IUPAC name of 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one (CID 18728748) is 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one.

What is the SMILES notation for 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one?

The canonical SMILES for 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one is CC(COc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one?

The InChIKey is DLZXGYBSUIYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO5Si3/c1-20(33(10,29-31(4,5)6)30-32(7,8)9)19-28-22-13-11-21(12-14-22)23(26)24(2,3)25-15-17-27-18-16-25/h11-14,20H,15-19H2,1-10H3.

What are the key properties of 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one?

2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 511.88 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 18728748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).