trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane

C21H54O5Si5 — CID 22214216

IUPACtrimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane
SMILESC[Si](C)(C)OCC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H54O5Si5/c1-27(2,3)22-17-16-19(24-29(7,8)9)21(26-31(13,14)15)20(25-30(10,11)12)18-23-28(4,5)6/h19-21H,16-18H2,1-15H3/t19-,20-,21+/m1/s1
InChIKeyULCPMKYKEVLMSQ-NJYVYQBISA-N
MW527.09 g/mol
LogP6.74
Rot. Bonds15

About trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane

trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane (PubChem CID 22214216) has the molecular formula C21H54O5Si5 and a molecular weight of 527.09 g/mol. Its IUPAC name is trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane
PubChem CID22214216
Molecular FormulaC21H54O5Si5
Molecular Weight527.09 g/mol
Exact Mass526.28
IUPAC Nametrimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane
SMILESC[Si](C)(C)OCC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H54O5Si5/c1-27(2,3)22-17-16-19(24-29(7,8)9)21(26-31(13,14)15)20(25-30(10,11)12)18-23-28(4,5)6/h19-21H,16-18H2,1-15H3/t19-,20-,21+/m1/s1
InChIKeyULCPMKYKEVLMSQ-NJYVYQBISA-N
XLogP6.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.09
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane (CID 22214216) is trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane is C[Si](C)(C)OCC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane?
The InChIKey is ULCPMKYKEVLMSQ-NJYVYQBISA-N. The full InChI is InChI=1S/C21H54O5Si5/c1-27(2,3)22-17-16-19(24-29(7,8)9)21(26-31(13,14)15)20(25-30(10,11)12)18-23-28(4,5)6/h19-21H,16-18H2,1-15H3/t19-,20-,21+/m1/s1.
What are the key properties of trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane?
trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane has a molecular weight of 527.09 g/mol, XLogP of 6.74, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane is sourced from PubChem (CID 22214216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).