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

C39H74O9Si2 — CID 134839744

About (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-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)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol (PubChem CID 134839744) has the molecular formula C39H74O9Si2 and a molecular weight of 743.18 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)but-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)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
• PubChem CID: 134839744
• Molecular Formula: C39H74O9Si2
• Molecular Weight: 743.18 g/mol
• Exact Mass: 742.49
• IUPAC Name: (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol
• SMILES: C=CC[C@H](OCOC)[C@H]1OC(C)(C)O[C@H]1[C@@](C)(C#C[C@@H](O)[C@@H](C)C[C@H](O[Si](CC)(CC)CC)[C@@H](OCOC)[C@@H](C)C=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C39H74O9Si2/c1-18-23-32(43-27-41-14)35-36(46-38(11,12)45-35)39(13,48-49(16,17)37(8,9)10)25-24-31(40)30(7)26-33(47-50(20-3,21-4)22-5)34(29(6)19-2)44-28-42-15/h18-19,29-36,40H,1-2,20-23,26-28H2,3-17H3/t29-,30-,31+,32-,33-,34-,35+,36+,39+/m0/s1
• InChIKey: VLPKZERGLQUXCY-QYMJMWPFSA-N
• XLogP: 8.44
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.18
LogP ≤ 5	8.44
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)but-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)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol (CID 134839744) is (2R,5S,6S,8S,9S,10S)-2-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-[(4R,5R)-5-[(1S)-1-(methoxymethoxy)but-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)but-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)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol is C=CC[C@H](OCOC)[C@H]1OC(C)(C)O[C@H]1[C@@](C)(C#C[C@@H](O)[C@@H](C)C[C@H](O[Si](CC)(CC)CC)[C@@H](OCOC)[C@@H](C)C=C)O[Si](C)(C)C(C)(C)C.

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)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethyl-8-triethylsilyloxydodec-11-en-3-yn-5-ol?

The InChIKey is VLPKZERGLQUXCY-QYMJMWPFSA-N. The full InChI is InChI=1S/C39H74O9Si2/c1-18-23-32(43-27-41-14)35-36(46-38(11,12)45-35)39(13,48-49(16,17)37(8,9)10)25-24-31(40)30(7)26-33(47-50(20-3,21-4)22-5)34(29(6)19-2)44-28-42-15/h18-19,29-36,40H,1-2,20-23,26-28H2,3-17H3/t29-,30-,31+,32-,33-,34-,35+,36+,39+/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)but-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)but-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 743.18 g/mol, XLogP of 8.44, 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)but-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 134839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).