(2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal

C27H60O4Si3 — CID 11272575

About (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal

(2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal (PubChem CID 11272575) has the molecular formula C27H60O4Si3 and a molecular weight of 533.03 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal.

Molecular Properties

• Compound Name: (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal
• PubChem CID: 11272575
• Molecular Formula: C27H60O4Si3
• Molecular Weight: 533.03 g/mol
• Exact Mass: 532.38
• IUPAC Name: (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal
• SMILES: C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H60O4Si3/c1-21(20-28)24(31-34(16,17)27(9,10)11)22(2)23(30-33(14,15)26(6,7)8)18-19-29-32(12,13)25(3,4)5/h20-24H,18-19H2,1-17H3/t21-,22-,23-,24+/m0/s1
• InChIKey: ZUFZRPOAQWAWLD-NEWJYFPISA-N
• XLogP: 8.65
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.03
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal?

The IUPAC name of (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal (CID 11272575) is (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal.

What is the SMILES notation for (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal?

The canonical SMILES for (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal is C[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal?

The InChIKey is ZUFZRPOAQWAWLD-NEWJYFPISA-N. The full InChI is InChI=1S/C27H60O4Si3/c1-21(20-28)24(31-34(16,17)27(9,10)11)22(2)23(30-33(14,15)26(6,7)8)18-19-29-32(12,13)25(3,4)5/h20-24H,18-19H2,1-17H3/t21-,22-,23-,24+/m0/s1.

What are the key properties of (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal?

(2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal has a molecular weight of 533.03 g/mol, XLogP of 8.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal is sourced from PubChem (CID 11272575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).