(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid

C28H32O5Si — CID 134943635

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)[Si](O[C@H](CC(=O)O)CC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O5Si/c1-28(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-23(19-26(29)30)20-27(31)32-21-22-13-7-4-8-14-22/h4-18,23H,19-21H2,1-3H3,(H,29,30)/t23-/m1/s1
InChIKeyWHXAOQJXPGJSAQ-HSZRJFAPSA-N
MW476.65 g/mol
LogP4.54
Rot. Bonds10

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 134943635) has the molecular formula C28H32O5Si and a molecular weight of 476.65 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID134943635
Molecular FormulaC28H32O5Si
Molecular Weight476.65 g/mol
Exact Mass476.20
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)[Si](O[C@H](CC(=O)O)CC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O5Si/c1-28(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-23(19-26(29)30)20-27(31)32-21-22-13-7-4-8-14-22/h4-18,23H,19-21H2,1-3H3,(H,29,30)/t23-/m1/s1
InChIKeyWHXAOQJXPGJSAQ-HSZRJFAPSA-N
XLogP4.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid (CID 134943635) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid is CC(C)(C)[Si](O[C@H](CC(=O)O)CC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is WHXAOQJXPGJSAQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H32O5Si/c1-28(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-23(19-26(29)30)20-27(31)32-21-22-13-7-4-8-14-22/h4-18,23H,19-21H2,1-3H3,(H,29,30)/t23-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 476.65 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 134943635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).