(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

About (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 99772264) has the molecular formula C38H61NO5Si2 and a molecular weight of 668.08 g/mol. Its IUPAC name is (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID	99772264
Molecular Formula	C38H61NO5Si2
Molecular Weight	668.08 g/mol
Exact Mass	667.41
IUPAC Name	(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILES	CC[C@@H](CCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChI	InChI=1S/C38H61NO5Si2/c1-13-30(43-45(11,12)37(5,6)7)21-20-26-34(29(4)35(40)39-33(28(2)3)27-42-36(39)41)44-46(38(8,9)10,31-22-16-14-17-23-31)32-24-18-15-19-25-32/h14-19,22-25,28-30,33-34H,13,20-21,26-27H2,1-12H3/t29-,30+,33+,34+/m1/s1
InChIKey	RLLWEZMUPDEXCT-SOKNIMEWSA-N
XLogP	8.54
TPSA	65.07 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	14
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.08
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 99772264) is (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](CCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is RLLWEZMUPDEXCT-SOKNIMEWSA-N. The full InChI is InChI=1S/C38H61NO5Si2/c1-13-30(43-45(11,12)37(5,6)7)21-20-26-34(29(4)35(40)39-33(28(2)3)27-42-36(39)41)44-46(38(8,9)10,31-22-16-14-17-23-31)32-24-18-15-19-25-32/h14-19,22-25,28-30,33-34H,13,20-21,26-27H2,1-12H3/t29-,30+,33+,34+/m1/s1.

What are the key properties of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 668.08 g/mol, XLogP of 8.54, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 99772264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).