tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate

C21H29NO3Si — CID 46221200

IUPACtert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO3Si/c1-21(2,3)25-20(24)22-19(15-16-23)26(4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,23H,15-16H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyPAZZOSYTLZJDTR-LJQANCHMSA-N
MW371.55 g/mol
LogP2.69
Rot. Bonds6

About tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate

tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate (PubChem CID 46221200) has the molecular formula C21H29NO3Si and a molecular weight of 371.55 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
PubChem CID46221200
Molecular FormulaC21H29NO3Si
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Nametert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO3Si/c1-21(2,3)25-20(24)22-19(15-16-23)26(4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,23H,15-16H2,1-4H3,(H,22,24)/t19-/m1/s1
InChIKeyPAZZOSYTLZJDTR-LJQANCHMSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
CID 12045291
tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate
CID 46221435
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
(R)-N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]-2-methylpropane-2-sulfinamide
CID 46220978
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate
CID 173184420
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
(E,2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 139263768
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 10550433

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate (CID 46221200) is tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCO)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate?
The InChIKey is PAZZOSYTLZJDTR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29NO3Si/c1-21(2,3)25-20(24)22-19(15-16-23)26(4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,23H,15-16H2,1-4H3,(H,22,24)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate?
tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate has a molecular weight of 371.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate is sourced from PubChem (CID 46221200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).