(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione

C30H35NO4Si — CID 10951212

IUPAC(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-22(2)27(26-28(32)34-29(33)31(26)21-23-15-9-6-10-16-23)35-36(30(3,4)5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26-27H,21H2,1-5H3/t26-,27+/m0/s1
InChIKeyBZTIAESVHCXFPZ-RRPNLBNLSA-N
MW501.70 g/mol
LogP5.14
Rot. Bonds8

About (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione

(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione (PubChem CID 10951212) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione
PubChem CID10951212
Molecular FormulaC30H35NO4Si
Molecular Weight501.70 g/mol
Exact Mass501.23
IUPAC Name(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-22(2)27(26-28(32)34-29(33)31(26)21-23-15-9-6-10-16-23)35-36(30(3,4)5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26-27H,21H2,1-5H3/t26-,27+/m0/s1
InChIKeyBZTIAESVHCXFPZ-RRPNLBNLSA-N
XLogP5.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione (CID 10951212) is (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione is CC(C)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1C(=O)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is BZTIAESVHCXFPZ-RRPNLBNLSA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-22(2)27(26-28(32)34-29(33)31(26)21-23-15-9-6-10-16-23)35-36(30(3,4)5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26-27H,21H2,1-5H3/t26-,27+/m0/s1.
What are the key properties of (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione?
(4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 501.70 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 10951212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).