tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate

C28H41NO4Si — CID 59676770

IUPACtert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H](CO)CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-24-19-21(20-30)17-18-25(24)33-34(28(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24-25,30H,17-20H2,1-6H3,(H,29,31)/t21-,24+,25+/m0/s1
InChIKeyTVJLGQABVYRJJZ-FTBPSBKWSA-N
MW483.73 g/mol
LogP4.62
Rot. Bonds6

About tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate

tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate (PubChem CID 59676770) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate
PubChem CID59676770
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@@H](CO)CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-24-19-21(20-30)17-18-25(24)33-34(28(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24-25,30H,17-20H2,1-6H3,(H,29,31)/t21-,24+,25+/m0/s1
InChIKeyTVJLGQABVYRJJZ-FTBPSBKWSA-N
XLogP4.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-yl]carbamate
CID 176319448
tert-butyl N-[(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-6,6,6-trifluoro-3-(2-hydroxyethyl)hexan-2-yl]carbamate
CID 176319573
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[2-(hydroxymethyl)cyclohexen-1-yl]butan-2-yl]carbamate
CID 11649533
tert-butyl N-[(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxoheptan-2-yl]carbamate
CID 15965542
tert-butyl N-[(2S,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxoheptan-2-yl]carbamate
CID 135000544
tert-butyl N-[(2S,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methylhept-5-yn-2-yl]carbamate
CID 135026916
tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate
CID 138968584
tert-butyl N-[(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 146170112
tert-butyl N-[(2R,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 146170155
tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxypentan-2-yl]carbamate
CID 162415524
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)-5-hydroxypentan-2-yl]carbamate
CID 12111287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate (CID 59676770) is tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CO)CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate?
The InChIKey is TVJLGQABVYRJJZ-FTBPSBKWSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-24-19-21(20-30)17-18-25(24)33-34(28(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21,24-25,30H,17-20H2,1-6H3,(H,29,31)/t21-,24+,25+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate?
tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate has a molecular weight of 483.73 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)cyclohexyl]carbamate is sourced from PubChem (CID 59676770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).