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

C48H100O11Si4 — CID 134839934

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

(2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol (PubChem CID 134839934) has the molecular formula C48H100O11Si4 and a molecular weight of 965.66 g/mol. Its IUPAC name is (2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol.

Molecular Properties

• Compound Name: (2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol
• PubChem CID: 134839934
• Molecular Formula: C48H100O11Si4
• Molecular Weight: 965.66 g/mol
• Exact Mass: 964.63
• IUPAC Name: (2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol
• SMILES: CC[Si](CC)(CC)O[C@@H](C[C@H](C)[C@H](O)C#C[C@@](C)(OCOC)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](OCOC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C48H100O11Si4/c1-26-63(27-2,28-3)59-39(41(52-34-50-18)37(5)32-54-60(20,21)44(6,7)8)31-36(4)38(49)29-30-48(17,53-35-51-19)43-42(56-47(15,16)57-43)40(58-62(24,25)46(12,13)14)33-55-61(22,23)45(9,10)11/h36-43,49H,26-28,31-35H2,1-25H3/t36-,37-,38+,39-,40+,41-,42+,43+,48+/m0/s1
• InChIKey: ODRUYSLGXBWJRY-QDIVEFCXSA-N
• XLogP: 11.73
• TPSA: 112.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.66
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol (CID 134839934) is (2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol.

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

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

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

The InChIKey is ODRUYSLGXBWJRY-QDIVEFCXSA-N. The full InChI is InChI=1S/C48H100O11Si4/c1-26-63(27-2,28-3)59-39(41(52-34-50-18)37(5)32-54-60(20,21)44(6,7)8)31-36(4)38(49)29-30-48(17,53-35-51-19)43-42(56-47(15,16)57-43)40(58-62(24,25)46(12,13)14)33-55-61(22,23)45(9,10)11/h36-43,49H,26-28,31-35H2,1-25H3/t36-,37-,38+,39-,40+,41-,42+,43+,48+/m0/s1.

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

(2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol has a molecular weight of 965.66 g/mol, XLogP of 11.73, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,6S,8S,9S,10S)-2-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-11-[tert-butyl(dimethyl)silyl]oxy-2,9-bis(methoxymethoxy)-6,10-dimethyl-8-triethylsilyloxyundec-3-yn-5-ol is sourced from PubChem (CID 134839934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).