2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide

C13H28BrNO2Si — CID 170899815

IUPAC2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCNC(=O)CBr
InChIInChI=1S/C13H28BrNO2Si/c1-13(2,3)18(4,5)17-10-8-6-7-9-15-12(16)11-14/h6-11H2,1-5H3,(H,15,16)
InChIKeyWSJVZTNWQYCVTN-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.69
Rot. Bonds8

About 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide

2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide (PubChem CID 170899815) has the molecular formula C13H28BrNO2Si and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide
PubChem CID170899815
Molecular FormulaC13H28BrNO2Si
Molecular Weight338.36 g/mol
Exact Mass337.11
IUPAC Name2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCNC(=O)CBr
InChIInChI=1S/C13H28BrNO2Si/c1-13(2,3)18(4,5)17-10-8-6-7-9-15-12(16)11-14/h6-11H2,1-5H3,(H,15,16)
InChIKeyWSJVZTNWQYCVTN-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
3-[tert-butyl(dimethyl)silyl]oxypropylthiourea
CID 155592862
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
N-butyl-4-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 146913472
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide
CID 69045747
2-acetyl-8-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanoic acid
CID 123934980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide?
The IUPAC name of 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide (CID 170899815) is 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide.
What is the SMILES notation for 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide?
The canonical SMILES for 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide is CC(C)(C)[Si](C)(C)OCCCCCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide?
The InChIKey is WSJVZTNWQYCVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrNO2Si/c1-13(2,3)18(4,5)17-10-8-6-7-9-15-12(16)11-14/h6-11H2,1-5H3,(H,15,16).
What are the key properties of 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide?
2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide is sourced from PubChem (CID 170899815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).