(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol

C23H33N3O3Si — CID 173486757

IUPAC(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol
SMILESC[C@@H](O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C23H33N3O3Si/c1-19(27)15-16-28-17-20(25-26-24)18-29-30(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20,27H,15-18H2,1-4H3/t19-,20?/m1/s1
InChIKeyQMTZXLARYSCYNC-FIWHBWSRSA-N
MW427.62 g/mol
LogP4.03
Rot. Bonds11

About (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol

(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol (PubChem CID 173486757) has the molecular formula C23H33N3O3Si and a molecular weight of 427.62 g/mol. Its IUPAC name is (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol
PubChem CID173486757
Molecular FormulaC23H33N3O3Si
Molecular Weight427.62 g/mol
Exact Mass427.23
IUPAC Name(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol
SMILESC[C@@H](O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C23H33N3O3Si/c1-19(27)15-16-28-17-20(25-26-24)18-29-30(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20,27H,15-18H2,1-4H3/t19-,20?/m1/s1
InChIKeyQMTZXLARYSCYNC-FIWHBWSRSA-N
XLogP4.03
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-azido-2-[(2R)-oxiran-2-yl]ethoxy]-tert-butyl-diphenylsilane
CID 11783542
(2R,3S)-2-azido-6-[tert-butyl(diphenyl)silyl]oxyhexane-1,3-diol
CID 71514366
(2s,3r,4e)-2-azido-3-O-(butyldiphenylsilyl)-4-octadecene-1,3-diol
CID 129800760
[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane
CID 150302802
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
(E,2S,3R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 11092950
(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
(3R)-1-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 57757052
(3R)-1-[(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 57757057
(2R)-4-Azido-1-{[tert-butyl(diphenyl)silyl]oxy}butan-2-ol
CID 58007222
(E,2S,3S)-2-azido-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol
CID 59032076
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
CID 59055138

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol?
The IUPAC name of (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol (CID 173486757) is (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol.
What is the SMILES notation for (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol?
The canonical SMILES for (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol is C[C@@H](O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol?
The InChIKey is QMTZXLARYSCYNC-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H33N3O3Si/c1-19(27)15-16-28-17-20(25-26-24)18-29-30(23(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,19-20,27H,15-18H2,1-4H3/t19-,20?/m1/s1.
What are the key properties of (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol?
(2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol has a molecular weight of 427.62 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol is sourced from PubChem (CID 173486757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).