trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate

C15H26O3Si2 — CID 553300

IUPACtrimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H26O3Si2/c1-19(2,3)17-14(13-10-8-7-9-11-13)12-15(16)18-20(4,5)6/h7-11,14H,12H2,1-6H3
InChIKeyOAADMUUBGAFSDC-UHFFFAOYSA-N
MW310.54 g/mol
LogP4.35
Rot. Bonds6

About trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate

trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate (PubChem CID 553300) has the molecular formula C15H26O3Si2 and a molecular weight of 310.54 g/mol. Its IUPAC name is trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate
PubChem CID553300
Molecular FormulaC15H26O3Si2
Molecular Weight310.54 g/mol
Exact Mass310.14
IUPAC Nametrimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H26O3Si2/c1-19(2,3)17-14(13-10-8-7-9-11-13)12-15(16)18-20(4,5)6/h7-11,14H,12H2,1-6H3
InChIKeyOAADMUUBGAFSDC-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 54.35
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 trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate (CID 553300) is trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate is C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate?
The InChIKey is OAADMUUBGAFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si2/c1-19(2,3)17-14(13-10-8-7-9-11-13)12-15(16)18-20(4,5)6/h7-11,14H,12H2,1-6H3.
What are the key properties of trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate?
trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate has a molecular weight of 310.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-phenyl-3-trimethylsilyloxypropanoate is sourced from PubChem (CID 553300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).