(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one

C24H39NO4Si — CID 59015194

IUPAC(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H39NO4Si/c1-9-17(2)21(29-30(7,8)24(4,5)6)18(3)22(26)25-20(16-28-23(25)27)15-19-13-11-10-12-14-19/h10-14,17-18,20-21H,9,15-16H2,1-8H3/t17-,18-,20-,21+/m0/s1
InChIKeyUUVLFNWEXSYOLF-JYAXBFRTSA-N
MW433.67 g/mol
LogP5.65
Rot. Bonds8

About (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 59015194) has the molecular formula C24H39NO4Si and a molecular weight of 433.67 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
PubChem CID59015194
Molecular FormulaC24H39NO4Si
Molecular Weight433.67 g/mol
Exact Mass433.26
IUPAC Name(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C24H39NO4Si/c1-9-17(2)21(29-30(7,8)24(4,5)6)18(3)22(26)25-20(16-28-23(25)27)15-19-13-11-10-12-14-19/h10-14,17-18,20-21H,9,15-16H2,1-8H3/t17-,18-,20-,21+/m0/s1
InChIKeyUUVLFNWEXSYOLF-JYAXBFRTSA-N
XLogP5.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.67
LogP ≤ 55.65
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 (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one (CID 59015194) is (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one is CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is UUVLFNWEXSYOLF-JYAXBFRTSA-N. The full InChI is InChI=1S/C24H39NO4Si/c1-9-17(2)21(29-30(7,8)24(4,5)6)18(3)22(26)25-20(16-28-23(25)27)15-19-13-11-10-12-14-19/h10-14,17-18,20-21H,9,15-16H2,1-8H3/t17-,18-,20-,21+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 433.67 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59015194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).