(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol

C25H39NO2Si — CID 15420140

IUPAC(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H39NO2Si/c1-25(2,3)29(4,5)28-18-12-17-24(21-27)26(19-22-13-8-6-9-14-22)20-23-15-10-7-11-16-23/h6-11,13-16,24,27H,12,17-21H2,1-5H3/t24-/m0/s1
InChIKeyZOQBUEWQTGYMOU-DEOSSOPVSA-N
MW413.68 g/mol
LogP5.85
Rot. Bonds11

About (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol

(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol (PubChem CID 15420140) has the molecular formula C25H39NO2Si and a molecular weight of 413.68 g/mol. Its IUPAC name is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol.

Molecular Properties

Compound Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
PubChem CID15420140
Molecular FormulaC25H39NO2Si
Molecular Weight413.68 g/mol
Exact Mass413.28
IUPAC Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H39NO2Si/c1-25(2,3)29(4,5)28-18-12-17-24(21-27)26(19-22-13-8-6-9-14-22)20-23-15-10-7-11-16-23/h6-11,13-16,24,27H,12,17-21H2,1-5H3/t24-/m0/s1
InChIKeyZOQBUEWQTGYMOU-DEOSSOPVSA-N
XLogP5.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.68
LogP ≤ 55.85
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

(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(4S,5R)-N,N-dibenzyl-1-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)heptan-4-amine
CID 10962478
(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine
CID 71761913
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
CID 154638930
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)propanal
CID 10872677
benzyl N-[(4R)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45102918
3-butoxy-2-(dibenzylamino)propan-1-ol
CID 163833677
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide
CID 53306514

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol?
The IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol (CID 15420140) is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol.
What is the SMILES notation for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol?
The canonical SMILES for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol is CC(C)(C)[Si](C)(C)OCCC[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol?
The InChIKey is ZOQBUEWQTGYMOU-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H39NO2Si/c1-25(2,3)29(4,5)28-18-12-17-24(21-27)26(19-22-13-8-6-9-14-22)20-23-15-10-7-11-16-23/h6-11,13-16,24,27H,12,17-21H2,1-5H3/t24-/m0/s1.
What are the key properties of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol?
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol has a molecular weight of 413.68 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol is sourced from PubChem (CID 15420140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).