(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal

C33H44O5Si — CID 10674193

About (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal

(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal (PubChem CID 10674193) has the molecular formula C33H44O5Si and a molecular weight of 548.80 g/mol. Its IUPAC name is (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal.

Molecular Properties

• Compound Name: (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal
• PubChem CID: 10674193
• Molecular Formula: C33H44O5Si
• Molecular Weight: 548.80 g/mol
• Exact Mass: 548.30
• IUPAC Name: (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal
• SMILES: CC(C)(C)[Si](C)(C)O[C@H](COCc1ccccc1)C[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
• InChI: InChI=1S/C33H44O5Si/c1-33(2,3)39(4,5)38-30(26-35-23-27-15-9-6-10-16-27)21-31(36-24-28-17-11-7-12-18-28)32(22-34)37-25-29-19-13-8-14-20-29/h6-20,22,30-32H,21,23-26H2,1-5H3/t30-,31-,32-/m0/s1
• InChIKey: FQSDIRVHVCAVFR-CPCREDONSA-N
• XLogP: 7.35
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.80
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal?

The IUPAC name of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal (CID 10674193) is (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal.

What is the SMILES notation for (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal?

The canonical SMILES for (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal is CC(C)(C)[Si](C)(C)O[C@H](COCc1ccccc1)C[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1.

What is the InChIKey of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal?

The InChIKey is FQSDIRVHVCAVFR-CPCREDONSA-N. The full InChI is InChI=1S/C33H44O5Si/c1-33(2,3)39(4,5)38-30(26-35-23-27-15-9-6-10-16-27)21-31(36-24-28-17-11-7-12-18-28)32(22-34)37-25-29-19-13-8-14-20-29/h6-20,22,30-32H,21,23-26H2,1-5H3/t30-,31-,32-/m0/s1.

What are the key properties of (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal?

(2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal has a molecular weight of 548.80 g/mol, XLogP of 7.35, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,6-tris(phenylmethoxy)hexanal is sourced from PubChem (CID 10674193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).