tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate

C17H37NO3Si — CID 155738458

IUPACtert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
SMILESCN(CCCCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H37NO3Si/c1-16(2,3)21-15(19)18(7)13-11-10-12-14-20-22(8,9)17(4,5)6/h10-14H2,1-9H3
InChIKeyUUTGGMNZRDPZHO-UHFFFAOYSA-N
MW331.57 g/mol
LogP5.05
Rot. Bonds7

About tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate

tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate (PubChem CID 155738458) has the molecular formula C17H37NO3Si and a molecular weight of 331.57 g/mol. Its IUPAC name is tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
PubChem CID155738458
Molecular FormulaC17H37NO3Si
Molecular Weight331.57 g/mol
Exact Mass331.25
IUPAC Nametert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
SMILESCN(CCCCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H37NO3Si/c1-16(2,3)21-15(19)18(7)13-11-10-12-14-20-22(8,9)17(4,5)6/h10-14H2,1-9H3
InChIKeyUUTGGMNZRDPZHO-UHFFFAOYSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.57
LogP ≤ 55.05
H-Bond Donors ≤ 50
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

3-[tert-butyl(dimethyl)silyl]oxypropyl-methylcarbamic acid
CID 87451074
tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate
CID 58080821
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
CID 10718218
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate (CID 155738458) is tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate is CN(CCCCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate?
The InChIKey is UUTGGMNZRDPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO3Si/c1-16(2,3)21-15(19)18(7)13-11-10-12-14-20-22(8,9)17(4,5)6/h10-14H2,1-9H3.
What are the key properties of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate?
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate has a molecular weight of 331.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate is sourced from PubChem (CID 155738458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).