(2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol

C20H27N3O2Si — CID 58007222

IUPAC(2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](O)CCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O2Si/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17(24)14-15-22-23-21/h4-13,17,24H,14-16H2,1-3H3/t17-/m1/s1
InChIKeyKRPZUPNTECJFGU-QGZVFWFLSA-N
MW369.54 g/mol
LogP3.62
Rot. Bonds8

About (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol

(2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol (PubChem CID 58007222) has the molecular formula C20H27N3O2Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name(2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
PubChem CID58007222
Molecular FormulaC20H27N3O2Si
Molecular Weight369.54 g/mol
Exact Mass369.19
IUPAC Name(2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](O)CCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O2Si/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17(24)14-15-22-23-21/h4-13,17,24H,14-16H2,1-3H3/t17-/m1/s1
InChIKeyKRPZUPNTECJFGU-QGZVFWFLSA-N
XLogP3.62
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The IUPAC name of (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol (CID 58007222) is (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol.
What is the SMILES notation for (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The canonical SMILES for (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol is CC(C)(C)[Si](OC[C@H](O)CCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
The InChIKey is KRPZUPNTECJFGU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O2Si/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-17(24)14-15-22-23-21/h4-13,17,24H,14-16H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol?
(2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol has a molecular weight of 369.54 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-azido-1-[tert-butyl(diphenyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 58007222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).