4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one

C18H35NO4Si — CID 10247783

IUPAC4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one
SMILESCCCC[C@@H](C(=O)N1C(=O)OCC1C(C)C)[C@@H](CC)O[Si](C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-8-10-11-14(16(9-2)23-24(5,6)7)17(20)19-15(13(3)4)12-22-18(19)21/h13-16H,8-12H2,1-7H3/t14-,15?,16-/m1/s1
InChIKeyJLUWFYUAPGXQJG-YTPLPTRZSA-N
MW357.57 g/mol
LogP4.43
Rot. Bonds9

About 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one

4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one (PubChem CID 10247783) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one
PubChem CID10247783
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Name4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one
SMILESCCCC[C@@H](C(=O)N1C(=O)OCC1C(C)C)[C@@H](CC)O[Si](C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-8-10-11-14(16(9-2)23-24(5,6)7)17(20)19-15(13(3)4)12-22-18(19)21/h13-16H,8-12H2,1-7H3/t14-,15?,16-/m1/s1
InChIKeyJLUWFYUAPGXQJG-YTPLPTRZSA-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 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one (CID 10247783) is 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one is CCCC[C@@H](C(=O)N1C(=O)OCC1C(C)C)[C@@H](CC)O[Si](C)(C)C.
What is the InChIKey of 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is JLUWFYUAPGXQJG-YTPLPTRZSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-8-10-11-14(16(9-2)23-24(5,6)7)17(20)19-15(13(3)4)12-22-18(19)21/h13-16H,8-12H2,1-7H3/t14-,15?,16-/m1/s1.
What are the key properties of 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one?
4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-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 4-propan-2-yl-3-[(2R)-2-[(1R)-1-trimethylsilyloxypropyl]hexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10247783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).