tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate

C27H41NO4Si — CID 138968584

IUPACtert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H41NO4Si/c1-21(18-22(19-29)28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,29H,18-20H2,1-7H3,(H,28,30)/t21-,22+/m1/s1
InChIKeyVDIZGPVXZDIIFN-YADHBBJMSA-N
MW471.71 g/mol
LogP4.47
Rot. Bonds9

About tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate (PubChem CID 138968584) has the molecular formula C27H41NO4Si and a molecular weight of 471.71 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate
PubChem CID138968584
Molecular FormulaC27H41NO4Si
Molecular Weight471.71 g/mol
Exact Mass471.28
IUPAC Nametert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H41NO4Si/c1-21(18-22(19-29)28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,29H,18-20H2,1-7H3,(H,28,30)/t21-,22+/m1/s1
InChIKeyVDIZGPVXZDIIFN-YADHBBJMSA-N
XLogP4.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.71
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 162651894
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 12111286
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate (CID 138968584) is tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate?
The InChIKey is VDIZGPVXZDIIFN-YADHBBJMSA-N. The full InChI is InChI=1S/C27H41NO4Si/c1-21(18-22(19-29)28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,29H,18-20H2,1-7H3,(H,28,30)/t21-,22+/m1/s1.
What are the key properties of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate has a molecular weight of 471.71 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 138968584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).