tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane

C35H69IO7Si2 — CID 24857986

About tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane (PubChem CID 24857986) has the molecular formula C35H69IO7Si2 and a molecular weight of 785.01 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane
• PubChem CID: 24857986
• Molecular Formula: C35H69IO7Si2
• Molecular Weight: 785.01 g/mol
• Exact Mass: 784.36
• IUPAC Name: tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane
• SMILES: COCO[C@@H]([C@@H](C)/C=C\[C@H](C[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OCOC)[C@@H](C)/C=C(/C)I
• InChI: InChI=1S/C35H69IO7Si2/c1-24(31(40-23-38-13)25(2)20-26(3)36)18-19-29(39-22-37-12)21-30-27(4)32(42-44(14,15)34(6,7)8)28(5)33(41-30)43-45(16,17)35(9,10)11/h18-20,24-25,27-33H,21-23H2,1-17H3/b19-18-,26-20-/t24-,25-,27-,28+,29+,30-,31-,32-,33-/m0/s1
• InChIKey: SNOTVMXGEAKBSL-PVOQQEBCSA-N
• XLogP: 9.93
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.01
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane (CID 24857986) is tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane is COCO[C@@H]([C@@H](C)/C=C\[C@H](C[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OCOC)[C@@H](C)/C=C(/C)I.

What is the InChIKey of tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane?

The InChIKey is SNOTVMXGEAKBSL-PVOQQEBCSA-N. The full InChI is InChI=1S/C35H69IO7Si2/c1-24(31(40-23-38-13)25(2)20-26(3)36)18-19-29(39-22-37-12)21-30-27(4)32(42-44(14,15)34(6,7)8)28(5)33(41-30)43-45(16,17)35(9,10)11/h18-20,24-25,27-33H,21-23H2,1-17H3/b19-18-,26-20-/t24-,25-,27-,28+,29+,30-,31-,32-,33-/m0/s1.

What are the key properties of tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane?

tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 785.01 g/mol, XLogP of 9.93, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S,3R,4S,5S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-9-iodo-2,6-bis(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 24857986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).