(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol

C12H25N3O3Si — CID 100999058

IUPAC(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CN=[N+]=[N-])[C@@H]1CCC(O)O1
InChIInChI=1S/C12H25N3O3Si/c1-12(2,3)19(4,5)18-10(8-14-15-13)9-6-7-11(16)17-9/h9-11,16H,6-8H2,1-5H3/t9-,10-,11?/m0/s1
InChIKeyQUXODTHKDVVHBU-QRHSGQBVSA-N
MW287.44 g/mol
LogP3.18
Rot. Bonds5

About (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol

(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol (PubChem CID 100999058) has the molecular formula C12H25N3O3Si and a molecular weight of 287.44 g/mol. Its IUPAC name is (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol.

Molecular Properties

Compound Name(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol
PubChem CID100999058
Molecular FormulaC12H25N3O3Si
Molecular Weight287.44 g/mol
Exact Mass287.17
IUPAC Name(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CN=[N+]=[N-])[C@@H]1CCC(O)O1
InChIInChI=1S/C12H25N3O3Si/c1-12(2,3)19(4,5)18-10(8-14-15-13)9-6-7-11(16)17-9/h9-11,16H,6-8H2,1-5H3/t9-,10-,11?/m0/s1
InChIKeyQUXODTHKDVVHBU-QRHSGQBVSA-N
XLogP3.18
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 71369485
[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91804971
[(2R,3S,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-cyclopropyl-1-hydroxypentan-2-yl]carbamic acid
CID 90279636
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 22867082
[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 149426365
[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 102271844
4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
CID 174057536
(2-azido-1-methoxyethyl)cyclopropane
CID 102567991
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]carbamate
CID 123156364
tert-butyl (4R)-4-[(1R,2S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 86726822

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol?
The IUPAC name of (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol (CID 100999058) is (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol.
What is the SMILES notation for (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol?
The canonical SMILES for (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol is CC(C)(C)[Si](C)(C)O[C@@H](CN=[N+]=[N-])[C@@H]1CCC(O)O1.
What is the InChIKey of (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol?
The InChIKey is QUXODTHKDVVHBU-QRHSGQBVSA-N. The full InChI is InChI=1S/C12H25N3O3Si/c1-12(2,3)19(4,5)18-10(8-14-15-13)9-6-7-11(16)17-9/h9-11,16H,6-8H2,1-5H3/t9-,10-,11?/m0/s1.
What are the key properties of (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol?
(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol is sourced from PubChem (CID 100999058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).