tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane

C58H102O6S2Si4 — CID 11094348

About tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane (PubChem CID 11094348) has the molecular formula C58H102O6S2Si4 and a molecular weight of 1071.93 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
• PubChem CID: 11094348
• Molecular Formula: C58H102O6S2Si4
• Molecular Weight: 1071.93 g/mol
• Exact Mass: 1070.62
• IUPAC Name: tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane
• SMILES: C=C(C[C@H]1C[C@](C)(O[Si](C)(C)C(C)(C)C)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C1SCCCS1
• InChI: InChI=1S/C58H102O6S2Si4/c1-19-68(20-2,21-3)62-50-41-48(36-37-59-70(56(13,14)15,51-32-27-25-28-33-51)52-34-29-26-30-35-52)60-58(43-50)44-57(16,64-67(17,18)55(10,11)12)42-49(61-58)40-45(7)46(8)53(63-69(22-4,23-5)24-6)47(9)54-65-38-31-39-66-54/h25-30,32-35,46-50,53-54H,7,19-24,31,36-44H2,1-6,8-18H3/t46-,47+,48+,49+,50+,53+,57+,58-/m1/s1
• InChIKey: KASMBQRFROJITO-MPZPJGMPSA-N
• XLogP: 15.98
• TPSA: 55.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.93
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane (CID 11094348) is tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane is C=C(C[C@H]1C[C@](C)(O[Si](C)(C)C(C)(C)C)C[C@@]2(C[C@@H](O[Si](CC)(CC)CC)C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)O1)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C1SCCCS1.

What is the InChIKey of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

The InChIKey is KASMBQRFROJITO-MPZPJGMPSA-N. The full InChI is InChI=1S/C58H102O6S2Si4/c1-19-68(20-2,21-3)62-50-41-48(36-37-59-70(56(13,14)15,51-32-27-25-28-33-51)52-34-29-26-30-35-52)60-58(43-50)44-57(16,64-67(17,18)55(10,11)12)42-49(61-58)40-45(7)46(8)53(63-69(22-4,23-5)24-6)47(9)54-65-38-31-39-66-54/h25-30,32-35,46-50,53-54H,7,19-24,31,36-44H2,1-6,8-18H3/t46-,47+,48+,49+,50+,53+,57+,58-/m1/s1.

What are the key properties of tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane?

tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane has a molecular weight of 1071.93 g/mol, XLogP of 15.98, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3R,4S,5S)-5-(1,3-dithian-2-yl)-3-methyl-2-methylidene-4-triethylsilyloxyhexyl]-4-methyl-10-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11094348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).