(2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal

C24H50O5Si2 — CID 25140688

About (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal

(2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal (PubChem CID 25140688) has the molecular formula C24H50O5Si2 and a molecular weight of 474.83 g/mol. Its IUPAC name is (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal.

Molecular Properties

• Compound Name: (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal
• PubChem CID: 25140688
• Molecular Formula: C24H50O5Si2
• Molecular Weight: 474.83 g/mol
• Exact Mass: 474.32
• IUPAC Name: (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal
• SMILES: C[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
• InChI: InChI=1S/C24H50O5Si2/c1-17(15-25)20(28-30(11,12)22(3,4)5)18(2)21(19-16-26-24(9,10)27-19)29-31(13,14)23(6,7)8/h15,17-21H,16H2,1-14H3/t17-,18+,19-,20-,21+/m1/s1
• InChIKey: RJEMSBUOHCECQO-XNTOXWQXSA-N
• XLogP: 6.39
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.83
LogP ≤ 5	6.39
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 (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal?

The IUPAC name of (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal (CID 25140688) is (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal.

What is the SMILES notation for (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal?

The canonical SMILES for (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal is C[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.

What is the InChIKey of (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal?

The InChIKey is RJEMSBUOHCECQO-XNTOXWQXSA-N. The full InChI is InChI=1S/C24H50O5Si2/c1-17(15-25)20(28-30(11,12)22(3,4)5)18(2)21(19-16-26-24(9,10)27-19)29-31(13,14)23(6,7)8/h15,17-21H,16H2,1-14H3/t17-,18+,19-,20-,21+/m1/s1.

What are the key properties of (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal?

(2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal has a molecular weight of 474.83 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethylpentanal is sourced from PubChem (CID 25140688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).