(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde

C23H40O4Si2 — CID 24749454

About (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde

(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde (PubChem CID 24749454) has the molecular formula C23H40O4Si2 and a molecular weight of 436.74 g/mol. Its IUPAC name is (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde
• PubChem CID: 24749454
• Molecular Formula: C23H40O4Si2
• Molecular Weight: 436.74 g/mol
• Exact Mass: 436.25
• IUPAC Name: (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)O[C@H]1C=O
• InChI: InChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)26-20-18(16-24)25-19(17-14-12-11-13-15-17)21(20)27-29(9,10)23(4,5)6/h11-16,18-21H,1-10H3/t18-,19+,20+,21+/m0/s1
• InChIKey: MGEAAMCEAAHYCF-DOIPELPJSA-N
• XLogP: 6.11
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.74
LogP ≤ 5	6.11
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,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde?

The IUPAC name of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde (CID 24749454) is (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde.

What is the SMILES notation for (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde?

The canonical SMILES for (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](c2ccccc2)O[C@H]1C=O.

What is the InChIKey of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde?

The InChIKey is MGEAAMCEAAHYCF-DOIPELPJSA-N. The full InChI is InChI=1S/C23H40O4Si2/c1-22(2,3)28(7,8)26-20-18(16-24)25-19(17-14-12-11-13-15-17)21(20)27-29(9,10)23(4,5)6/h11-16,18-21H,1-10H3/t18-,19+,20+,21+/m0/s1.

What are the key properties of (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde?

(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde has a molecular weight of 436.74 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-phenyloxolane-2-carbaldehyde is sourced from PubChem (CID 24749454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).