(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde

C26H50O4Si — CID 11316994

About (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde

(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde (PubChem CID 11316994) has the molecular formula C26H50O4Si and a molecular weight of 454.77 g/mol. Its IUPAC name is (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde.

Molecular Properties

• Compound Name: (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde
• PubChem CID: 11316994
• Molecular Formula: C26H50O4Si
• Molecular Weight: 454.77 g/mol
• Exact Mass: 454.35
• IUPAC Name: (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde
• SMILES: CCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]([C@@H]2CC[C@H](C=O)O2)O1
• InChI: InChI=1S/C26H50O4Si/c1-7-8-9-10-11-12-13-14-15-25(30-31(5,6)26(2,3)4)24-19-18-23(29-24)22-17-16-21(20-27)28-22/h20-25H,7-19H2,1-6H3/t21-,22+,23+,24-,25+/m1/s1
• InChIKey: MKVOLPZJPIQJNH-MQZWXTIWSA-N
• XLogP: 7.20
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.77
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

The IUPAC name of (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde (CID 11316994) is (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde.

What is the SMILES notation for (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

The canonical SMILES for (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde is CCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]([C@@H]2CC[C@H](C=O)O2)O1.

What is the InChIKey of (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

The InChIKey is MKVOLPZJPIQJNH-MQZWXTIWSA-N. The full InChI is InChI=1S/C26H50O4Si/c1-7-8-9-10-11-12-13-14-15-25(30-31(5,6)26(2,3)4)24-19-18-23(29-24)22-17-16-21(20-27)28-22/h20-25H,7-19H2,1-6H3/t21-,22+,23+,24-,25+/m1/s1.

What are the key properties of (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde?

(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde has a molecular weight of 454.77 g/mol, XLogP of 7.20, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolane-2-carbaldehyde is sourced from PubChem (CID 11316994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).