trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate

C16H38O5Si3 — CID 162937304

IUPACtrimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
SMILESC[C@@H](COC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si3/c1-14(16(17)21-24(8,9)10)11-18-12-15(20-23(5,6)7)13-19-22(2,3)4/h14-15H,11-13H2,1-10H3/t14-,15+/m0/s1
InChIKeyYTNMLZVAADXGMA-LSDHHAIUSA-N
MW394.73 g/mol
LogP4.09
Rot. Bonds11

About trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate

trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate (PubChem CID 162937304) has the molecular formula C16H38O5Si3 and a molecular weight of 394.73 g/mol. Its IUPAC name is trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
PubChem CID162937304
Molecular FormulaC16H38O5Si3
Molecular Weight394.73 g/mol
Exact Mass394.20
IUPAC Nametrimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
SMILESC[C@@H](COC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si3/c1-14(16(17)21-24(8,9)10)11-18-12-15(20-23(5,6)7)13-19-22(2,3)4/h14-15H,11-13H2,1-10H3/t14-,15+/m0/s1
InChIKeyYTNMLZVAADXGMA-LSDHHAIUSA-N
XLogP4.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 54.09
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 trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate?
The IUPAC name of trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate (CID 162937304) is trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate.
What is the SMILES notation for trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate?
The canonical SMILES for trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate is C[C@@H](COC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate?
The InChIKey is YTNMLZVAADXGMA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H38O5Si3/c1-14(16(17)21-24(8,9)10)11-18-12-15(20-23(5,6)7)13-19-22(2,3)4/h14-15H,11-13H2,1-10H3/t14-,15+/m0/s1.
What are the key properties of trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate?
trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate has a molecular weight of 394.73 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate is sourced from PubChem (CID 162937304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).