trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate

C15H26O3Si2 — CID 606214

IUPACtrimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OC(=O)C(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H26O3Si2/c1-19(2,3)17-14(15(16)18-20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyBDAIEAHTVSLQPN-UHFFFAOYSA-N
MW310.54 g/mol
LogP3.83
Rot. Bonds6

About trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate

trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate (PubChem CID 606214) has the molecular formula C15H26O3Si2 and a molecular weight of 310.54 g/mol. Its IUPAC name is trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate
PubChem CID606214
Molecular FormulaC15H26O3Si2
Molecular Weight310.54 g/mol
Exact Mass310.14
IUPAC Nametrimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate
SMILESC[Si](C)(C)OC(=O)C(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H26O3Si2/c1-19(2,3)17-14(15(16)18-20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyBDAIEAHTVSLQPN-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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-2-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate (CID 606214) is trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate is C[Si](C)(C)OC(=O)C(Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate?
The InChIKey is BDAIEAHTVSLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si2/c1-19(2,3)17-14(15(16)18-20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3.
What are the key properties of trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate?
trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate has a molecular weight of 310.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-phenyl-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 606214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).