[(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane

C34H73IO3Si3 — CID 101115063

About [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane

[(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane (PubChem CID 101115063) has the molecular formula C34H73IO3Si3 and a molecular weight of 741.12 g/mol. Its IUPAC name is [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane.

Molecular Properties

• Compound Name: [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane
• PubChem CID: 101115063
• Molecular Formula: C34H73IO3Si3
• Molecular Weight: 741.12 g/mol
• Exact Mass: 740.39
• IUPAC Name: [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane
• SMILES: CC[Si](CC)(CC)O[C@H](C/C=C(\C)C[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
• InChI: InChI=1S/C34H73IO3Si3/c1-17-41(18-2,19-3)38-32(30(6)27-35)24-23-28(4)26-29(5)31(37-40(15,16)34(10,11)12)22-20-21-25-36-39(13,14)33(7,8)9/h23,29-32H,17-22,24-27H2,1-16H3/b28-23+/t29-,30-,31-,32+/m0/s1
• InChIKey: PLXBSOBPCQJXTJ-KUGRPLMBSA-N
• XLogP: 12.39
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 20
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.12
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane?

The IUPAC name of [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane (CID 101115063) is [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane.

What is the SMILES notation for [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane?

The canonical SMILES for [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane is CC[Si](CC)(CC)O[C@H](C/C=C(\C)C[C@H](C)[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.

What is the InChIKey of [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane?

The InChIKey is PLXBSOBPCQJXTJ-KUGRPLMBSA-N. The full InChI is InChI=1S/C34H73IO3Si3/c1-17-41(18-2,19-3)38-32(30(6)27-35)24-23-28(4)26-29(5)31(37-40(15,16)34(10,11)12)22-20-21-25-36-39(13,14)33(7,8)9/h23,29-32H,17-22,24-27H2,1-16H3/b28-23+/t29-,30-,31-,32+/m0/s1.

What are the key properties of [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane?

[(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane has a molecular weight of 741.12 g/mol, XLogP of 12.39, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,1R,6S,7S)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2R)-1-iodopropan-2-yl]-4,6-dimethylundec-3-enoxy]-triethylsilane is sourced from PubChem (CID 101115063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).