methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate

C26H58O5Si3 — CID 134872147

IUPACmethyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate
SMILESCC[C@@](CO[Si](CC)(CC)CC)(C[C@@H](CCC(=O)OC)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H58O5Si3/c1-14-26(31-32(9,10)11,22-30-34(15-2,16-3)17-4)20-23(18-19-24(27)28-8)21-29-33(12,13)25(5,6)7/h23H,14-22H2,1-13H3/t23-,26+/m1/s1
InChIKeyPXVPDBHEMKZVGM-BVAGGSTKSA-N
MW535.00 g/mol
LogP7.99
Rot. Bonds17

About methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate

methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate (PubChem CID 134872147) has the molecular formula C26H58O5Si3 and a molecular weight of 535.00 g/mol. Its IUPAC name is methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate.

Molecular Properties

Compound Namemethyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate
PubChem CID134872147
Molecular FormulaC26H58O5Si3
Molecular Weight535.00 g/mol
Exact Mass534.36
IUPAC Namemethyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate
SMILESCC[C@@](CO[Si](CC)(CC)CC)(C[C@@H](CCC(=O)OC)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C26H58O5Si3/c1-14-26(31-32(9,10)11,22-30-34(15-2,16-3)17-4)20-23(18-19-24(27)28-8)21-29-33(12,13)25(5,6)7/h23H,14-22H2,1-13H3/t23-,26+/m1/s1
InChIKeyPXVPDBHEMKZVGM-BVAGGSTKSA-N
XLogP7.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(2R)-2-triethylsilyloxy-2-(triethylsilyloxymethyl)-4-tri(propan-2-yl)silylbut-3-ynyl]oxan-2-one
CID 23727015
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
methyl (3R)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383532
methyl (3S)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383533
methyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 101383534
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346
methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 135001185
tert-butyl (6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradecanoate
CID 138970754
tert-butyl (4S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptanoate
CID 166448258
Dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435999
Dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436003
Dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436005

Frequently Asked Questions

What is the IUPAC name of methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate?
The IUPAC name of methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate (CID 134872147) is methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate.
What is the SMILES notation for methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate?
The canonical SMILES for methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate is CC[C@@](CO[Si](CC)(CC)CC)(C[C@@H](CCC(=O)OC)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate?
The InChIKey is PXVPDBHEMKZVGM-BVAGGSTKSA-N. The full InChI is InChI=1S/C26H58O5Si3/c1-14-26(31-32(9,10)11,22-30-34(15-2,16-3)17-4)20-23(18-19-24(27)28-8)21-29-33(12,13)25(5,6)7/h23H,14-22H2,1-13H3/t23-,26+/m1/s1.
What are the key properties of methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate?
methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate has a molecular weight of 535.00 g/mol, XLogP of 7.99, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate is sourced from PubChem (CID 134872147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).