(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one

C32H49NO3Si — CID 162511254

IUPAC(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1CCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NO3Si/c1-27-30(36-31(34)33-27)25-19-11-9-7-5-6-8-10-12-20-26-35-37(32(2,3)4,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24,27,30H,5-12,19-20,25-26H2,1-4H3,(H,33,34)/t27-,30+/m0/s1
InChIKeyYPIJRIOLKJAJMD-BHBYDHKZSA-N
MW523.83 g/mol
LogP7.35
Rot. Bonds16

About (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one

(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 162511254) has the molecular formula C32H49NO3Si and a molecular weight of 523.83 g/mol. Its IUPAC name is (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID162511254
Molecular FormulaC32H49NO3Si
Molecular Weight523.83 g/mol
Exact Mass523.35
IUPAC Name(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1CCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NO3Si/c1-27-30(36-31(34)33-27)25-19-11-9-7-5-6-8-10-12-20-26-35-37(32(2,3)4,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24,27,30H,5-12,19-20,25-26H2,1-4H3,(H,33,34)/t27-,30+/m0/s1
InChIKeyYPIJRIOLKJAJMD-BHBYDHKZSA-N
XLogP7.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.83
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]-1-methylpiperidin-4-one
CID 178089202
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
(4S,5R)-5-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-phenylmethoxypyrrolidin-2-one
CID 122224826
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R)-1-hydroxypentadecyl]-1,3-oxazolidin-2-one
CID 51031891

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one (CID 162511254) is (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)O[C@@H]1CCCCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is YPIJRIOLKJAJMD-BHBYDHKZSA-N. The full InChI is InChI=1S/C32H49NO3Si/c1-27-30(36-31(34)33-27)25-19-11-9-7-5-6-8-10-12-20-26-35-37(32(2,3)4,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24,27,30H,5-12,19-20,25-26H2,1-4H3,(H,33,34)/t27-,30+/m0/s1.
What are the key properties of (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 523.83 g/mol, XLogP of 7.35, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[12-[tert-butyl(diphenyl)silyl]oxydodecyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 162511254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).