(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol

C9H21N3O2Si — CID 71369485

IUPAC(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)CN=[N+]=[N-]
InChIInChI=1S/C9H21N3O2Si/c1-9(2,3)15(4,5)14-8(7-13)6-11-12-10/h8,13H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyORXFTSMRFKTEFA-QMMMGPOBSA-N
MW231.37 g/mol
LogP2.68
Rot. Bonds5

About (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol

(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol (PubChem CID 71369485) has the molecular formula C9H21N3O2Si and a molecular weight of 231.37 g/mol. Its IUPAC name is (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
PubChem CID71369485
Molecular FormulaC9H21N3O2Si
Molecular Weight231.37 g/mol
Exact Mass231.14
IUPAC Name(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO)CN=[N+]=[N-]
InChIInChI=1S/C9H21N3O2Si/c1-9(2,3)15(4,5)14-8(7-13)6-11-12-10/h8,13H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyORXFTSMRFKTEFA-QMMMGPOBSA-N
XLogP2.68
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
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

[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91804971
(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
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-yn-1-ol
CID 121013901
(3R,5R)-3-azido-5-[tert-butyl(dimethyl)silyl]oxy-6-chlorohexanoic acid
CID 102076473
tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]carbamate
CID 123156364
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 149426365
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880873

Frequently Asked Questions

What is the IUPAC name of (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The IUPAC name of (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol (CID 71369485) is (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.
What is the SMILES notation for (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The canonical SMILES for (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol is CC(C)(C)[Si](C)(C)O[C@H](CO)CN=[N+]=[N-].
What is the InChIKey of (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The InChIKey is ORXFTSMRFKTEFA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21N3O2Si/c1-9(2,3)15(4,5)14-8(7-13)6-11-12-10/h8,13H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol has a molecular weight of 231.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol is sourced from PubChem (CID 71369485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).