tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane

C41H84O9Si3 — CID 101358616

About tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane (PubChem CID 101358616) has the molecular formula C41H84O9Si3 and a molecular weight of 805.37 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane
• PubChem CID: 101358616
• Molecular Formula: C41H84O9Si3
• Molecular Weight: 805.37 g/mol
• Exact Mass: 804.54
• IUPAC Name: tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane
• SMILES: C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H]1OC(C)(C)O[C@H]1[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OC
• InChI: InChI=1S/C41H84O9Si3/c1-24-31(49-52(20,21)38(7,8)9)33(43-16)26-34-36(47-40(13,14)45-34)41(44-17)29(3)35(50-53(22,23)39(10,11)12)28(2)32(46-41)25-30(27-42-15)48-51(18,19)37(4,5)6/h24,28-36H,1,25-27H2,2-23H3/t28-,29+,30+,31-,32+,33-,34-,35-,36+,41+/m0/s1
• InChIKey: VCKIONOMSGOHOM-HZIJLIHYSA-N
• XLogP: 10.32
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.37
LogP ≤ 5	10.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane (CID 101358616) is tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H]1OC(C)(C)O[C@H]1[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OC.

What is the InChIKey of tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane?

The InChIKey is VCKIONOMSGOHOM-HZIJLIHYSA-N. The full InChI is InChI=1S/C41H84O9Si3/c1-24-31(49-52(20,21)38(7,8)9)33(43-16)26-34-36(47-40(13,14)45-34)41(44-17)29(3)35(50-53(22,23)39(10,11)12)28(2)32(46-41)25-30(27-42-15)48-51(18,19)37(4,5)6/h24,28-36H,1,25-27H2,2-23H3/t28-,29+,30+,31-,32+,33-,34-,35-,36+,41+/m0/s1.

What are the key properties of tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane?

tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 805.37 g/mol, XLogP of 10.32, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R)-1-[(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4R,5S)-5-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3,5-dimethyloxan-2-yl]-3-methoxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 101358616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).