2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane

C26H56O4Si3 — CID 139249823

IUPAC2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC#CC[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si3/c1-16-17-23(30-33(14,15)26(6,7)8)20-24(28-21-27-18-19-31(9,10)11)22(2)29-32(12,13)25(3,4)5/h1,22-24H,17-21H2,2-15H3/t22-,23+,24-/m1/s1
InChIKeyGBSYENMDWGTZSA-TZRRMPRUSA-N
MW516.99 g/mol
LogP7.90
Rot. Bonds14

About 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 139249823) has the molecular formula C26H56O4Si3 and a molecular weight of 516.99 g/mol. Its IUPAC name is 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID139249823
Molecular FormulaC26H56O4Si3
Molecular Weight516.99 g/mol
Exact Mass516.35
IUPAC Name2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC#CC[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si3/c1-16-17-23(30-33(14,15)26(6,7)8)20-24(28-21-27-18-19-31(9,10)11)22(2)29-32(12,13)25(3,4)5/h1,22-24H,17-21H2,2-15H3/t22-,23+,24-/m1/s1
InChIKeyGBSYENMDWGTZSA-TZRRMPRUSA-N
XLogP7.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane (CID 139249823) is 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane is C#CC[C@@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is GBSYENMDWGTZSA-TZRRMPRUSA-N. The full InChI is InChI=1S/C26H56O4Si3/c1-16-17-23(30-33(14,15)26(6,7)8)20-24(28-21-27-18-19-31(9,10)11)22(2)29-32(12,13)25(3,4)5/h1,22-24H,17-21H2,2-15H3/t22-,23+,24-/m1/s1.
What are the key properties of 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 516.99 g/mol, XLogP of 7.90, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-yn-3-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 139249823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).