[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate

C27H60O6Si3 — CID 90215261

IUPAC[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate
SMILESCC(=O)OC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H60O6Si3/c1-20(19-30-21(2)29)23(32-35(14,15)26(6,7)8)24(33-36(16,17)27(9,10)11)22(18-28)31-34(12,13)25(3,4)5/h20,22-24,28H,18-19H2,1-17H3/t20-,22-,23-,24-/m1/s1
InChIKeyPGNXSSUWXNCSSV-MSNJVRRCSA-N
MW565.03 g/mol
LogP7.35
Rot. Bonds12

About [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate

[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate (PubChem CID 90215261) has the molecular formula C27H60O6Si3 and a molecular weight of 565.03 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate
PubChem CID90215261
Molecular FormulaC27H60O6Si3
Molecular Weight565.03 g/mol
Exact Mass564.37
IUPAC Name[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate
SMILESCC(=O)OC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H60O6Si3/c1-20(19-30-21(2)29)23(32-35(14,15)26(6,7)8)24(33-36(16,17)27(9,10)11)22(18-28)31-34(12,13)25(3,4)5/h20,22-24,28H,18-19H2,1-17H3/t20-,22-,23-,24-/m1/s1
InChIKeyPGNXSSUWXNCSSV-MSNJVRRCSA-N
XLogP7.35
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.03
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate?
The IUPAC name of [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate (CID 90215261) is [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate?
The canonical SMILES for [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate is CC(=O)OC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate?
The InChIKey is PGNXSSUWXNCSSV-MSNJVRRCSA-N. The full InChI is InChI=1S/C27H60O6Si3/c1-20(19-30-21(2)29)23(32-35(14,15)26(6,7)8)24(33-36(16,17)27(9,10)11)22(18-28)31-34(12,13)25(3,4)5/h20,22-24,28H,18-19H2,1-17H3/t20-,22-,23-,24-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate?
[(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate has a molecular weight of 565.03 g/mol, XLogP of 7.35, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-2-methylhexyl] acetate is sourced from PubChem (CID 90215261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).