(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol

C23H35NO2Si — CID 58007257

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H35NO2Si/c1-19(2)24-17-16-20(25)18-26-27(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,24-25H,16-18H2,1-5H3/t20-/m1/s1
InChIKeyQAYWCTCDKYUTKZ-HXUWFJFHSA-N
MW385.62 g/mol
LogP3.31
Rot. Bonds9

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol (PubChem CID 58007257) has the molecular formula C23H35NO2Si and a molecular weight of 385.62 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol
PubChem CID58007257
Molecular FormulaC23H35NO2Si
Molecular Weight385.62 g/mol
Exact Mass385.24
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H35NO2Si/c1-19(2)24-17-16-20(25)18-26-27(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,24-25H,16-18H2,1-5H3/t20-/m1/s1
InChIKeyQAYWCTCDKYUTKZ-HXUWFJFHSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol (CID 58007257) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol is CC(C)NCC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is QAYWCTCDKYUTKZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H35NO2Si/c1-19(2)24-17-16-20(25)18-26-27(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,24-25H,16-18H2,1-5H3/t20-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 385.62 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 58007257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).