2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde

C32H62O6Si2 — CID 24851042

About 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde

2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde (PubChem CID 24851042) has the molecular formula C32H62O6Si2 and a molecular weight of 599.01 g/mol. Its IUPAC name is 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde
• PubChem CID: 24851042
• Molecular Formula: C32H62O6Si2
• Molecular Weight: 599.01 g/mol
• Exact Mass: 598.41
• IUPAC Name: 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde
• SMILES: CC[Si](CC)(CC)O[C@]1(C)CC[C@@H](CC=O)O[C@@]12CC[C@@]1(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1)O2
• InChI: InChI=1S/C32H62O6Si2/c1-11-39(12-2,13-3)38-30(10)20-16-29(17-23-33)36-32(30)22-21-31(37-32)19-14-15-28(35-31)18-24-34-40(25(4)5,26(6)7)27(8)9/h23,25-29H,11-22,24H2,1-10H3/t28-,29+,30-,31-,32-/m1/s1
• InChIKey: CIJXGAWEMDDIPU-MTJHJEBASA-N
• XLogP: 8.89
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.01
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?

The IUPAC name of 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde (CID 24851042) is 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde.

What is the SMILES notation for 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?

The canonical SMILES for 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde is CC[Si](CC)(CC)O[C@]1(C)CC[C@@H](CC=O)O[C@@]12CC[C@@]1(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O1)O2.

What is the InChIKey of 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?

The InChIKey is CIJXGAWEMDDIPU-MTJHJEBASA-N. The full InChI is InChI=1S/C32H62O6Si2/c1-11-39(12-2,13-3)38-30(10)20-16-29(17-23-33)36-32(30)22-21-31(37-32)19-14-15-28(35-31)18-24-34-40(25(4)5,26(6)7)27(8)9/h23,25-29H,11-22,24H2,1-10H3/t28-,29+,30-,31-,32-/m1/s1.

What are the key properties of 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?

2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde has a molecular weight of 599.01 g/mol, XLogP of 8.89, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde is sourced from PubChem (CID 24851042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).