tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate

C23H33NO2Si — CID 12045291

IUPACtert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-6-7-18-21(24-22(25)26-23(2,3)4)27(5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21H,6-7,18H2,1-5H3,(H,24,25)
InChIKeyNBBFXDHKIGYCDZ-UHFFFAOYSA-N
MW383.61 g/mol
LogP4.50
Rot. Bonds7

About tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate

tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate (PubChem CID 12045291) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
PubChem CID12045291
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Nametert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate
SMILESCCCCC(NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-6-7-18-21(24-22(25)26-23(2,3)4)27(5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21H,6-7,18H2,1-5H3,(H,24,25)
InChIKeyNBBFXDHKIGYCDZ-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
CID 22399693
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 14420168
tert-butyl N-[(1R)-1-[3-hydroxypropyl(diphenyl)silyl]-3-methylbutyl]carbamate
CID 46221435
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
CID 130835886
[(2S)-hexan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;toluene
CID 145115289
ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 10550433
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl N-[(2S)-1-(benzylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
CID 118389568
tert-butyl N-(1-hydroxy-1-phenyloctan-3-yl)carbamate
CID 101411554
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate (CID 12045291) is tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate is CCCCC(NC(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate?
The InChIKey is NBBFXDHKIGYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-6-7-18-21(24-22(25)26-23(2,3)4)27(5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21H,6-7,18H2,1-5H3,(H,24,25).
What are the key properties of tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate?
tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate has a molecular weight of 383.61 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methyl(diphenyl)silyl]pentyl]carbamate is sourced from PubChem (CID 12045291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).