tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane

C47H80O7Si2 — CID 10952893

About tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane

tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane (PubChem CID 10952893) has the molecular formula C47H80O7Si2 and a molecular weight of 813.32 g/mol. Its IUPAC name is tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane
• PubChem CID: 10952893
• Molecular Formula: C47H80O7Si2
• Molecular Weight: 813.32 g/mol
• Exact Mass: 812.54
• IUPAC Name: tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane
• SMILES: COc1ccc(COC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2O[C@@H](c3ccc(OC)cc3)OC[C@@H]2C)cc1
• InChI: InChI=1S/C47H80O7Si2/c1-32(27-33(2)42(53-55(15,16)46(7,8)9)35(4)29-50-31-38-19-23-40(48-13)24-20-38)28-34(3)44(54-56(17,18)47(10,11)12)37(6)43-36(5)30-51-45(52-43)39-21-25-41(49-14)26-22-39/h19-27,33-37,42-45H,28-31H2,1-18H3/b32-27-/t33-,34-,35-,36-,37+,42+,43-,44+,45-/m0/s1
• InChIKey: ULENBDABSWYMPG-DVPKVIPSSA-N
• XLogP: 12.63
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.32
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane (CID 10952893) is tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane is COc1ccc(COC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2O[C@@H](c3ccc(OC)cc3)OC[C@@H]2C)cc1.

What is the InChIKey of tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane?

The InChIKey is ULENBDABSWYMPG-DVPKVIPSSA-N. The full InChI is InChI=1S/C47H80O7Si2/c1-32(27-33(2)42(53-55(15,16)46(7,8)9)35(4)29-50-31-38-19-23-40(48-13)24-20-38)28-34(3)44(54-56(17,18)47(10,11)12)37(6)43-36(5)30-51-45(52-43)39-21-25-41(49-14)26-22-39/h19-27,33-37,42-45H,28-31H2,1-18H3/b32-27-/t33-,34-,35-,36-,37+,42+,43-,44+,45-/m0/s1.

What are the key properties of tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane?

tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane has a molecular weight of 813.32 g/mol, XLogP of 12.63, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(Z,2R,3R,4S,8S,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-2-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4,6,8,10-tetramethylundec-6-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10952893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).