tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane

C28H50O6Si2 — CID 11284099

About tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane

tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane (PubChem CID 11284099) has the molecular formula C28H50O6Si2 and a molecular weight of 538.87 g/mol. Its IUPAC name is tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane
• PubChem CID: 11284099
• Molecular Formula: C28H50O6Si2
• Molecular Weight: 538.87 g/mol
• Exact Mass: 538.31
• IUPAC Name: tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane
• SMILES: COCOC/C=C/C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C/C=C/COCOC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H50O6Si2/c1-27(2,3)35(9,10)33-25(19-15-13-17-21-31-23-29-7)26(34-36(11,12)28(4,5)6)20-16-14-18-22-32-24-30-8/h13-14,17-18,25-26H,21-24H2,1-12H3/b17-13+,18-14+/t25-,26-/m1/s1
• InChIKey: BYUPJKYTJIKPSU-KBYABHGMSA-N
• XLogP: 6.13
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.87
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane (CID 11284099) is tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane is COCOC/C=C/C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C/C=C/COCOC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane?

The InChIKey is BYUPJKYTJIKPSU-KBYABHGMSA-N. The full InChI is InChI=1S/C28H50O6Si2/c1-27(2,3)35(9,10)33-25(19-15-13-17-21-31-23-29-7)26(34-36(11,12)28(4,5)6)20-16-14-18-22-32-24-30-8/h13-14,17-18,25-26H,21-24H2,1-12H3/b17-13+,18-14+/t25-,26-/m1/s1.

What are the key properties of tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane?

tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane has a molecular weight of 538.87 g/mol, XLogP of 6.13, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E,6R,7R,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1,12-bis(methoxymethoxy)dodeca-2,10-dien-4,8-diyn-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 11284099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).