[(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate

C29H47NO6Si — CID 10673862

IUPAC[(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](CCCCOC(=O)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C29H47NO6Si/c1-8-37(9-2,10-3)36-25(18-14-15-19-34-27(32)29(5,6)7)22(4)26(31)30-24(21-35-28(30)33)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25H,8-10,14-15,18-21H2,1-7H3/t22-,24-,25+/m0/s1
InChIKeyDMUBDLQVOSDMDG-ZKMPZPQNSA-N
MW533.78 g/mol
LogP6.36
Rot. Bonds14

About [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate

[(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate (PubChem CID 10673862) has the molecular formula C29H47NO6Si and a molecular weight of 533.78 g/mol. Its IUPAC name is [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
PubChem CID10673862
Molecular FormulaC29H47NO6Si
Molecular Weight533.78 g/mol
Exact Mass533.32
IUPAC Name[(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](CCCCOC(=O)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C29H47NO6Si/c1-8-37(9-2,10-3)36-25(18-14-15-19-34-27(32)29(5,6)7)22(4)26(31)30-24(21-35-28(30)33)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25H,8-10,14-15,18-21H2,1-7H3/t22-,24-,25+/m0/s1
InChIKeyDMUBDLQVOSDMDG-ZKMPZPQNSA-N
XLogP6.36
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.78
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl octanoate
CID 11474746
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate
CID 44413323
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl octanoate
CID 44413324
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023007
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023031
tert-butyl 2-[(1S,5R)-5-[(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropyl]cyclopent-2-en-1-yl]acetate
CID 71479947
(4S)-4-benzyl-3-[(2R)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030321
(4R)-4-benzyl-3-[(2S)-2-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030324
(4S)-4-benzyl-3-[(2R)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 101030325
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530

Frequently Asked Questions

What is the IUPAC name of [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
The IUPAC name of [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate (CID 10673862) is [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@H](CCCCOC(=O)C(C)(C)C)[C@H](C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
The InChIKey is DMUBDLQVOSDMDG-ZKMPZPQNSA-N. The full InChI is InChI=1S/C29H47NO6Si/c1-8-37(9-2,10-3)36-25(18-14-15-19-34-27(32)29(5,6)7)22(4)26(31)30-24(21-35-28(30)33)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25H,8-10,14-15,18-21H2,1-7H3/t22-,24-,25+/m0/s1.
What are the key properties of [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate?
[(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate has a molecular weight of 533.78 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-6-methyl-7-oxo-5-triethylsilyloxyheptyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10673862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).