2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate

C16H36O3Si2 — CID 90362167

IUPAC2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-10-14(19-21(8,9)16(2,3)4)13-15(17)18-11-12-20(5,6)7/h14H,10-13H2,1-9H3/t14-/m1/s1
InChIKeyBFIAPJHWAOJRFD-CQSZACIVSA-N
MW332.63 g/mol
LogP5.06
Rot. Bonds8

About 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate

2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 90362167) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID90362167
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-10-14(19-21(8,9)16(2,3)4)13-15(17)18-11-12-20(5,6)7/h14H,10-13H2,1-9H3/t14-/m1/s1
InChIKeyBFIAPJHWAOJRFD-CQSZACIVSA-N
XLogP5.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 90362167) is 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is CC[C@H](CC(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is BFIAPJHWAOJRFD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-10-14(19-21(8,9)16(2,3)4)13-15(17)18-11-12-20(5,6)7/h14H,10-13H2,1-9H3/t14-/m1/s1.
What are the key properties of 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 332.63 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 90362167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).