(7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal

C36H74O4Si2 — CID 11456364

About (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal

(7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal (PubChem CID 11456364) has the molecular formula C36H74O4Si2 and a molecular weight of 627.16 g/mol. Its IUPAC name is (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal.

Molecular Properties

• Compound Name: (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal
• PubChem CID: 11456364
• Molecular Formula: C36H74O4Si2
• Molecular Weight: 627.16 g/mol
• Exact Mass: 626.51
• IUPAC Name: (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal
• SMILES: CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H](CCCCCC=O)O[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C36H74O4Si2/c1-12-13-14-15-16-17-18-19-20-23-26-33(39-41(8,9)35(2,3)4)31-28-29-32(38-31)34(27-24-21-22-25-30-37)40-42(10,11)36(5,6)7/h30-34H,12-29H2,1-11H3/t31-,32-,33+,34-/m1/s1
• InChIKey: WUWUHUZHTVOWPU-YVEASBDZSA-N
• XLogP: 11.78
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 23
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.16
LogP ≤ 5	11.78
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 (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal?

The IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal (CID 11456364) is (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal.

What is the SMILES notation for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal?

The canonical SMILES for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal is CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]([C@@H](CCCCCC=O)O[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal?

The InChIKey is WUWUHUZHTVOWPU-YVEASBDZSA-N. The full InChI is InChI=1S/C36H74O4Si2/c1-12-13-14-15-16-17-18-19-20-23-26-33(39-41(8,9)35(2,3)4)31-28-29-32(38-31)34(27-24-21-22-25-30-37)40-42(10,11)36(5,6)7/h30-34H,12-29H2,1-11H3/t31-,32-,33+,34-/m1/s1.

What are the key properties of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal?

(7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal has a molecular weight of 627.16 g/mol, XLogP of 11.78, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(2R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]heptanal is sourced from PubChem (CID 11456364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).