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

C33H49NO5Si — CID 58077852

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

(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide (PubChem CID 58077852) has the molecular formula C33H49NO5Si and a molecular weight of 567.84 g/mol. Its IUPAC name is (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide.

Molecular Properties

• Compound Name: (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
• PubChem CID: 58077852
• Molecular Formula: C33H49NO5Si
• Molecular Weight: 567.84 g/mol
• Exact Mass: 567.34
• IUPAC Name: (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide
• SMILES: CON(C)C(=O)C(C)C[C@H](C)CCC1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O
• InChI: InChI=1S/C33H49NO5Si/c1-25(23-26(2)32(36)34(6)37-7)20-21-31-30(35)24-27(39-31)15-14-22-38-40(33(3,4)5,28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-13,16-19,25-27,31H,14-15,20-24H2,1-7H3/t25-,26?,27+,31?/m1/s1
• InChIKey: CCRIIOAVTJMRLL-FDHSGUKKSA-N
• XLogP: 5.53
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.84
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide?

The IUPAC name of (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide (CID 58077852) is (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-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-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide?

The canonical SMILES for (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide is CON(C)C(=O)C(C)C[C@H](C)CCC1O[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1=O.

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

The InChIKey is CCRIIOAVTJMRLL-FDHSGUKKSA-N. The full InChI is InChI=1S/C33H49NO5Si/c1-25(23-26(2)32(36)34(6)37-7)20-21-31-30(35)24-27(39-31)15-14-22-38-40(33(3,4)5,28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-13,16-19,25-27,31H,14-15,20-24H2,1-7H3/t25-,26?,27+,31?/m1/s1.

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

(4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide has a molecular weight of 567.84 g/mol, XLogP of 5.53, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-oxooxolan-2-yl]-N-methoxy-N,2,4-trimethylhexanamide is sourced from PubChem (CID 58077852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).