(4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C18H35NO4Si — CID 11024744

IUPAC(4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C18H35NO4Si/c1-8-16(23-24(9-2,10-3)11-4)14(7)17(20)19-15(13(5)6)12-22-18(19)21/h13-16H,8-12H2,1-7H3/t14-,15+,16+/m0/s1
InChIKeyLNBVCMXJWBNQLJ-ARFHVFGLSA-N
MW357.57 g/mol
LogP4.43
Rot. Bonds9

About (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11024744) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11024744
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Name(4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C18H35NO4Si/c1-8-16(23-24(9-2,10-3)11-4)14(7)17(20)19-15(13(5)6)12-22-18(19)21/h13-16H,8-12H2,1-7H3/t14-,15+,16+/m0/s1
InChIKeyLNBVCMXJWBNQLJ-ARFHVFGLSA-N
XLogP4.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.43
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 (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11024744) is (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](O[Si](CC)(CC)CC)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LNBVCMXJWBNQLJ-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-8-16(23-24(9-2,10-3)11-4)14(7)17(20)19-15(13(5)6)12-22-18(19)21/h13-16H,8-12H2,1-7H3/t14-,15+,16+/m0/s1.
What are the key properties of (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 357.57 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3R)-2-methyl-3-triethylsilyloxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11024744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).