(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one

C33H49NO6Si — CID 68970239

IUPAC(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(COC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C33H49NO6Si/c1-24(14-19-30(35)34-28(23-39-32(34)36)20-26-12-10-9-11-13-26)31(40-41(7,8)33(3,4)5)25(2)21-38-22-27-15-17-29(37-6)18-16-27/h9-13,15-18,24-25,28,31H,14,19-23H2,1-8H3/t24-,25-,28+,31+/m0/s1
InChIKeyWXDSQYLISYHONW-SJVQGLCSSA-N
MW583.84 g/mol
LogP7.24
Rot. Bonds14

About (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 68970239) has the molecular formula C33H49NO6Si and a molecular weight of 583.84 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
PubChem CID68970239
Molecular FormulaC33H49NO6Si
Molecular Weight583.84 g/mol
Exact Mass583.33
IUPAC Name(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(COC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C33H49NO6Si/c1-24(14-19-30(35)34-28(23-39-32(34)36)20-26-12-10-9-11-13-26)31(40-41(7,8)33(3,4)5)25(2)21-38-22-27-15-17-29(37-6)18-16-27/h9-13,15-18,24-25,28,31H,14,19-23H2,1-8H3/t24-,25-,28+,31+/m0/s1
InChIKeyWXDSQYLISYHONW-SJVQGLCSSA-N
XLogP7.24
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.84
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(E,2S,3R,4S,8S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4-methoxyphenyl)methoxy]-2,4,8-trimethylnon-5-ene-1,7-dione
CID 11296643
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-[(4-methoxyphenyl)methoxy]pentanoyl]-1,3-oxazolidin-2-one
CID 156665880
(4S,7R,8S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-7,9-dimethyl-10-phenylmethoxydecan-2-one
CID 11318925
(4R)-4-benzyl-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 72723548
(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal
CID 101354502
(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one
CID 132553527
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
4-benzyl-3-(4-methylhept-5-enoyl)-1,3-oxazolidin-2-one
CID 123798412
(4R)-4-benzyl-3-[(2S,4S,5R,6S,9S,11S,12R)-9,11-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4-methoxyphenyl)methoxy]-2,4,6,12-tetramethyl-15-trityloxypentadeca-7,13-dienoyl]-1,3-oxazolidin-2-one
CID 86594393
(4R)-4-benzyl-3-[(2R,3S)-2-ethenyl-3-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanoyl]-1,3-oxazolidin-2-one
CID 166513975

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (CID 68970239) is (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is COc1ccc(COC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
The InChIKey is WXDSQYLISYHONW-SJVQGLCSSA-N. The full InChI is InChI=1S/C33H49NO6Si/c1-24(14-19-30(35)34-28(23-39-32(34)36)20-26-12-10-9-11-13-26)31(40-41(7,8)33(3,4)5)25(2)21-38-22-27-15-17-29(37-6)18-16-27/h9-13,15-18,24-25,28,31H,14,19-23H2,1-8H3/t24-,25-,28+,31+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 583.84 g/mol, XLogP of 7.24, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68970239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).