(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol

C41H78O9Si2 — CID 134839708

About (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol

(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol (PubChem CID 134839708) has the molecular formula C41H78O9Si2 and a molecular weight of 771.24 g/mol. Its IUPAC name is (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol.

Molecular Properties

• Compound Name: (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
• PubChem CID: 134839708
• Molecular Formula: C41H78O9Si2
• Molecular Weight: 771.24 g/mol
• Exact Mass: 770.52
• IUPAC Name: (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
• SMILES: C=C[C@H](C)[C@H](OCOC)[C@H](C[C@H](C)[C@H](O)C#C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C=C)O[Si](CC)(CC)CC
• InChI: InChI=1S/C41H78O9Si2/c1-20-30(6)34(45-28-43-16)33(49-52(22-3,23-4)24-5)27-31(7)32(42)25-26-41(15,50-51(18,19)38(8,9)10)37-35(47-40(13,14)48-37)36(46-29-44-17)39(11,12)21-2/h20-21,30-37,42H,1-2,22-24,27-29H2,3-19H3/t30-,31-,32+,33-,34-,35+,36+,37+,41+/m0/s1
• InChIKey: QZOOVQLMDGWJIW-XEDMMMTFSA-N
• XLogP: 9.08
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.24
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol?

The IUPAC name of (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol (CID 134839708) is (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol.

What is the SMILES notation for (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol?

The canonical SMILES for (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol is C=C[C@H](C)[C@H](OCOC)[C@H](C[C@H](C)[C@H](O)C#C[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](OCOC)C(C)(C)C=C)O[Si](CC)(CC)CC.

What is the InChIKey of (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol?

The InChIKey is QZOOVQLMDGWJIW-XEDMMMTFSA-N. The full InChI is InChI=1S/C41H78O9Si2/c1-20-30(6)34(45-28-43-16)33(49-52(22-3,23-4)24-5)27-31(7)32(42)25-26-41(15,50-51(18,19)38(8,9)10)37-35(47-40(13,14)48-37)36(46-29-44-17)39(11,12)21-2/h20-21,30-37,42H,1-2,22-24,27-29H2,3-19H3/t30-,31-,32+,33-,34-,35+,36+,37+,41+/m0/s1.

What are the key properties of (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol?

(2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol has a molecular weight of 771.24 g/mol, XLogP of 9.08, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)-2,2-dimethylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol is sourced from PubChem (CID 134839708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).