8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid

C15H33NO3Si — CID 142782912

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
SMILESCNC(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H33NO3Si/c1-15(2,3)20(5,6)19-12-10-8-7-9-11-13(16-4)14(17)18/h13,16H,7-12H2,1-6H3,(H,17,18)
InChIKeyUMDFRYWORYRBQI-UHFFFAOYSA-N
MW303.52 g/mol
LogP3.63
Rot. Bonds10

About 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid

8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid (PubChem CID 142782912) has the molecular formula C15H33NO3Si and a molecular weight of 303.52 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
PubChem CID142782912
Molecular FormulaC15H33NO3Si
Molecular Weight303.52 g/mol
Exact Mass303.22
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
SMILESCNC(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H33NO3Si/c1-15(2,3)20(5,6)19-12-10-8-7-9-11-13(16-4)14(17)18/h13,16H,7-12H2,1-6H3,(H,17,18)
InChIKeyUMDFRYWORYRBQI-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
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

6-[tert-butyl(dimethyl)silyl]oxy-2-fluorohexanoic acid
CID 19776884
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
2-amino-5-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 175131179
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide
CID 170899815
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(tritylamino)pentanedioic acid
CID 70941521

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid (CID 142782912) is 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid is CNC(CCCCCCO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid?
The InChIKey is UMDFRYWORYRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3Si/c1-15(2,3)20(5,6)19-12-10-8-7-9-11-13(16-4)14(17)18/h13,16H,7-12H2,1-6H3,(H,17,18).
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid?
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid has a molecular weight of 303.52 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid is sourced from PubChem (CID 142782912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).