[(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate

C19H24O3Si — CID 102210503

IUPAC[(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate
SMILESC[Si](C)(C)[C@H](C[C@@H](O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-23(2,3)18(14-17(20)15-10-6-4-7-11-15)22-19(21)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18-/m1/s1
InChIKeyDSYPJURIXKMGDI-QZTJIDSGSA-N
MW328.48 g/mol
LogP4.21
Rot. Bonds6

About [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate

[(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate (PubChem CID 102210503) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate.

Molecular Properties

Compound Name[(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate
PubChem CID102210503
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name[(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate
SMILESC[Si](C)(C)[C@H](C[C@@H](O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-23(2,3)18(14-17(20)15-10-6-4-7-11-15)22-19(21)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18-/m1/s1
InChIKeyDSYPJURIXKMGDI-QZTJIDSGSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
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 [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate?
The IUPAC name of [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate (CID 102210503) is [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate.
What is the SMILES notation for [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate?
The canonical SMILES for [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate is C[Si](C)(C)[C@H](C[C@@H](O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate?
The InChIKey is DSYPJURIXKMGDI-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-23(2,3)18(14-17(20)15-10-6-4-7-11-15)22-19(21)16-12-8-5-9-13-16/h4-13,17-18,20H,14H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate?
[(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate has a molecular weight of 328.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-hydroxy-3-phenyl-1-trimethylsilylpropyl] benzoate is sourced from PubChem (CID 102210503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).