(2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one

C36H38O4Si — CID 11261544

IUPAC(2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](O[C@H](c1ccccc1)[C@@H](OCc1ccccc1)[C@H]1CC=CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38O4Si/c1-36(2,3)41(30-21-12-6-13-22-30,31-23-14-7-15-24-31)40-34(29-19-10-5-11-20-29)35(32-25-16-26-33(37)39-32)38-27-28-17-8-4-9-18-28/h4-24,26,32,34-35H,25,27H2,1-3H3/t32-,34-,35+/m1/s1
InChIKeyLCBDAHHLJDHPHT-WTMUYZGOSA-N
MW562.78 g/mol
LogP6.76
Rot. Bonds10

About (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one

(2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one (PubChem CID 11261544) has the molecular formula C36H38O4Si and a molecular weight of 562.78 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
PubChem CID11261544
Molecular FormulaC36H38O4Si
Molecular Weight562.78 g/mol
Exact Mass562.25
IUPAC Name(2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](O[C@H](c1ccccc1)[C@@H](OCc1ccccc1)[C@H]1CC=CC(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H38O4Si/c1-36(2,3)41(30-21-12-6-13-22-30,31-23-14-7-15-24-31)40-34(29-19-10-5-11-20-29)35(32-25-16-26-33(37)39-32)38-27-28-17-8-4-9-18-28/h4-24,26,32,34-35H,25,27H2,1-3H3/t32-,34-,35+/m1/s1
InChIKeyLCBDAHHLJDHPHT-WTMUYZGOSA-N
XLogP6.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.78
LogP ≤ 56.76
H-Bond Donors ≤ 50
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 (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one (CID 11261544) is (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one is CC(C)(C)[Si](O[C@H](c1ccccc1)[C@@H](OCc1ccccc1)[C@H]1CC=CC(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
The InChIKey is LCBDAHHLJDHPHT-WTMUYZGOSA-N. The full InChI is InChI=1S/C36H38O4Si/c1-36(2,3)41(30-21-12-6-13-22-30,31-23-14-7-15-24-31)40-34(29-19-10-5-11-20-29)35(32-25-16-26-33(37)39-32)38-27-28-17-8-4-9-18-28/h4-24,26,32,34-35H,25,27H2,1-3H3/t32-,34-,35+/m1/s1.
What are the key properties of (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one?
(2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one has a molecular weight of 562.78 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11261544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).