(4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C37H59NO5Si2 — CID 69362159

IUPAC(4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1N(C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H59NO5Si2/c1-26(2)32-37(29-21-17-15-18-22-29,30-23-19-16-20-24-30)42-34(40)38(32)33(39)28(4)31(43-45(13,14)36(8,9)10)27(3)25-41-44(11,12)35(5,6)7/h15-24,26-28,31-32H,25H2,1-14H3/t27-,28+,31-,32+/m0/s1
InChIKeyBZUGMSCQRQALLM-PDIPVHSCSA-N
MW654.05 g/mol
LogP9.62
Rot. Bonds11

About (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 69362159) has the molecular formula C37H59NO5Si2 and a molecular weight of 654.05 g/mol. Its IUPAC name is (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID69362159
Molecular FormulaC37H59NO5Si2
Molecular Weight654.05 g/mol
Exact Mass653.39
IUPAC Name(4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1N(C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H59NO5Si2/c1-26(2)32-37(29-21-17-15-18-22-29,30-23-19-16-20-24-30)42-34(40)38(32)33(39)28(4)31(43-45(13,14)36(8,9)10)27(3)25-41-44(11,12)35(5,6)7/h15-24,26-28,31-32H,25H2,1-14H3/t27-,28+,31-,32+/m0/s1
InChIKeyBZUGMSCQRQALLM-PDIPVHSCSA-N
XLogP9.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.05
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 69362159) is (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1N(C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BZUGMSCQRQALLM-PDIPVHSCSA-N. The full InChI is InChI=1S/C37H59NO5Si2/c1-26(2)32-37(29-21-17-15-18-22-29,30-23-19-16-20-24-30)42-34(40)38(32)33(39)28(4)31(43-45(13,14)36(8,9)10)27(3)25-41-44(11,12)35(5,6)7/h15-24,26-28,31-32H,25H2,1-14H3/t27-,28+,31-,32+/m0/s1.
What are the key properties of (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 654.05 g/mol, XLogP of 9.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69362159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).