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

C20H39NO4Si — CID 10475200

IUPAC3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N1C(=O)OCC1C(C)C)C(C)C
InChIInChI=1S/C20H39NO4Si/c1-11-16(25-26(9,10)20(6,7)8)17(14(4)5)18(22)21-15(13(2)3)12-24-19(21)23/h13-17H,11-12H2,1-10H3/t15?,16-,17-/m1/s1
InChIKeyMRVJYWAOYGHHHU-YJEKIOLLSA-N
MW385.62 g/mol
LogP5.06
Rot. Bonds7

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

3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10475200) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10475200
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Name3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N1C(=O)OCC1C(C)C)C(C)C
InChIInChI=1S/C20H39NO4Si/c1-11-16(25-26(9,10)20(6,7)8)17(14(4)5)18(22)21-15(13(2)3)12-24-19(21)23/h13-17H,11-12H2,1-10H3/t15?,16-,17-/m1/s1
InChIKeyMRVJYWAOYGHHHU-YJEKIOLLSA-N
XLogP5.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.06
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 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10475200) is 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N1C(=O)OCC1C(C)C)C(C)C.
What is the InChIKey of 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MRVJYWAOYGHHHU-YJEKIOLLSA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-11-16(25-26(9,10)20(6,7)8)17(14(4)5)18(22)21-15(13(2)3)12-24-19(21)23/h13-17H,11-12H2,1-10H3/t15?,16-,17-/m1/s1.
What are the key properties of 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 385.62 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10475200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).