[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane

C18H41N3O2Si2 — CID 91804971

IUPAC[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](CN=[N+]=[N-])[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H41N3O2Si2/c1-14(13-20-21-19)16(23-25(11,12)18(6,7)8)15(2)22-24(9,10)17(3,4)5/h14-16H,13H2,1-12H3/t14-,15+,16+/m0/s1
InChIKeyLNAPKZPINDWJPU-ARFHVFGLSA-N
MW387.72 g/mol
LogP6.73
Rot. Bonds8

About [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 91804971) has the molecular formula C18H41N3O2Si2 and a molecular weight of 387.72 g/mol. Its IUPAC name is [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID91804971
Molecular FormulaC18H41N3O2Si2
Molecular Weight387.72 g/mol
Exact Mass387.27
IUPAC Name[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](CN=[N+]=[N-])[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H41N3O2Si2/c1-14(13-20-21-19)16(23-25(11,12)18(6,7)8)15(2)22-24(9,10)17(3,4)5/h14-16H,13H2,1-12H3/t14-,15+,16+/m0/s1
InChIKeyLNAPKZPINDWJPU-ARFHVFGLSA-N
XLogP6.73
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]carbamate
CID 123156364
(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 71369485
[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 149426365
(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol
CID 100999058
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid
CID 90279636
4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
CID 174057536
(3S,4R,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]hexanoyl chloride
CID 10864320
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(E,5S,6S,7S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethyloct-3-en-2-ol
CID 11732481
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
[(2R,3S,4S,5R,6R)-2-[(1R,2R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxypropyl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylsulfanyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102279926

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane (CID 91804971) is [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane is C[C@@H](CN=[N+]=[N-])[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LNAPKZPINDWJPU-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H41N3O2Si2/c1-14(13-20-21-19)16(23-25(11,12)18(6,7)8)15(2)22-24(9,10)17(3,4)5/h14-16H,13H2,1-12H3/t14-,15+,16+/m0/s1.
What are the key properties of [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 387.72 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91804971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).