[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane

C54H114O9Si5 — CID 10724807

About [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10724807) has the molecular formula C54H114O9Si5 and a molecular weight of 1047.93 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 10724807
• Molecular Formula: C54H114O9Si5
• Molecular Weight: 1047.93 g/mol
• Exact Mass: 1046.73
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C[C@H](OCOC)[C@H](CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(=C)CCCCCCCCCCCCC
• InChI: InChI=1S/C54H114O9Si5/c1-27-29-30-31-32-33-34-35-36-37-38-39-43(3)64(17,18)60-45(44(28-2)57-42-55-16)40-56-50-49(63-68(25,26)54(13,14)15)48(62-67(23,24)53(10,11)12)47(61-66(21,22)52(7,8)9)46(59-50)41-58-65(19,20)51(4,5)6/h28,44-50H,2-3,27,29-42H2,1,4-26H3/t44-,45-,46+,47+,48-,49+,50+/m0/s1
• InChIKey: OSCWZAOHDYFEJV-KJVLFJHLSA-N
• XLogP: 16.48
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 32
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.93
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 10724807) is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane is C=C[C@H](OCOC)[C@H](CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(=C)CCCCCCCCCCCCC.

What is the InChIKey of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is OSCWZAOHDYFEJV-KJVLFJHLSA-N. The full InChI is InChI=1S/C54H114O9Si5/c1-27-29-30-31-32-33-34-35-36-37-38-39-43(3)64(17,18)60-45(44(28-2)57-42-55-16)40-56-50-49(63-68(25,26)54(13,14)15)48(62-67(23,24)53(10,11)12)47(61-66(21,22)52(7,8)9)46(59-50)41-58-65(19,20)51(4,5)6/h28,44-50H,2-3,27,29-42H2,1,4-26H3/t44-,45-,46+,47+,48-,49+,50+/m0/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane?

[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1047.93 g/mol, XLogP of 16.48, 32 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(2S,3S)-2-[dimethyl(pentadec-1-en-2-yl)silyl]oxy-3-(methoxymethoxy)pent-4-enoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10724807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).