(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide

C34H51NO4Si — CID 58077855

About (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide

(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide (PubChem CID 58077855) has the molecular formula C34H51NO4Si and a molecular weight of 565.87 g/mol. Its IUPAC name is (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide.

Molecular Properties

• Compound Name: (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
• PubChem CID: 58077855
• Molecular Formula: C34H51NO4Si
• Molecular Weight: 565.87 g/mol
• Exact Mass: 565.36
• IUPAC Name: (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
• SMILES: C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H](C)CC(C)C(=O)N(C)OC
• InChI: InChI=1S/C34H51NO4Si/c1-26(24-28(3)33(36)35(7)37-8)21-22-32-27(2)25-29(39-32)16-15-23-38-40(34(4,5)6,30-17-11-9-12-18-30)31-19-13-10-14-20-31/h9-14,17-20,26,28-29,32H,2,15-16,21-25H2,1,3-8H3/t26-,28?,29+,32?/m1/s1
• InChIKey: IRQPJLDBALDIEX-XVWKNIOPSA-N
• XLogP: 6.52
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.87
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide?

The IUPAC name of (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide (CID 58077855) is (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide.

What is the SMILES notation for (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide?

The canonical SMILES for (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide is C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1CC[C@@H](C)CC(C)C(=O)N(C)OC.

What is the InChIKey of (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide?

The InChIKey is IRQPJLDBALDIEX-XVWKNIOPSA-N. The full InChI is InChI=1S/C34H51NO4Si/c1-26(24-28(3)33(36)35(7)37-8)21-22-32-27(2)25-29(39-32)16-15-23-38-40(34(4,5)6,30-17-11-9-12-18-30)31-19-13-10-14-20-31/h9-14,17-20,26,28-29,32H,2,15-16,21-25H2,1,3-8H3/t26-,28?,29+,32?/m1/s1.

What are the key properties of (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide?

(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide has a molecular weight of 565.87 g/mol, XLogP of 6.52, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide is sourced from PubChem (CID 58077855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).