tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane

C27H48O2Si2 — CID 141158620

About tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane

tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane (PubChem CID 141158620) has the molecular formula C27H48O2Si2 and a molecular weight of 460.85 g/mol. Its IUPAC name is tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane
• PubChem CID: 141158620
• Molecular Formula: C27H48O2Si2
• Molecular Weight: 460.85 g/mol
• Exact Mass: 460.32
• IUPAC Name: tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane
• SMILES: C#CC[C@H](/C=C/C=C/C#C[C@H](CCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H48O2Si2/c1-13-15-21-25(29-31(11,12)27(6,7)8)23-19-17-16-18-22-24(20-14-2)28-30(9,10)26(3,4)5/h2,16-18,22,24-25H,13,15,20-21H2,1,3-12H3/b17-16+,22-18+/t24-,25+/m1/s1
• InChIKey: DRCVWXRZRVKFDL-AGEXODFMSA-N
• XLogP: 8.10
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.85
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane (CID 141158620) is tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane is C#CC[C@H](/C=C/C=C/C#C[C@H](CCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane?

The InChIKey is DRCVWXRZRVKFDL-AGEXODFMSA-N. The full InChI is InChI=1S/C27H48O2Si2/c1-13-15-21-25(29-31(11,12)27(6,7)8)23-19-17-16-18-22-24(20-14-2)28-30(9,10)26(3,4)5/h2,16-18,22,24-25H,13,15,20-21H2,1,3-12H3/b17-16+,22-18+/t24-,25+/m1/s1.

What are the key properties of tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane?

tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane has a molecular weight of 460.85 g/mol, XLogP of 8.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5S,8E,10E,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadeca-8,10-dien-6,14-diyn-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 141158620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).