tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate

C24H35NO4Si — CID 10960965

IUPACtert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO4Si/c1-23(2,3)29-22(27)25-19(17-26)18-28-30(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,26H,17-18H2,1-6H3,(H,25,27)/t19-/m1/s1
InChIKeyBDIWPPCRFYTGSZ-LJQANCHMSA-N
MW429.63 g/mol
LogP3.45
Rot. Bonds7

About tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate (PubChem CID 10960965) has the molecular formula C24H35NO4Si and a molecular weight of 429.63 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
PubChem CID10960965
Molecular FormulaC24H35NO4Si
Molecular Weight429.63 g/mol
Exact Mass429.23
IUPAC Nametert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO4Si/c1-23(2,3)29-22(27)25-19(17-26)18-28-30(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,26H,17-18H2,1-6H3,(H,25,27)/t19-/m1/s1
InChIKeyBDIWPPCRFYTGSZ-LJQANCHMSA-N
XLogP3.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate (CID 10960965) is tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
The InChIKey is BDIWPPCRFYTGSZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H35NO4Si/c1-23(2,3)29-22(27)25-19(17-26)18-28-30(24(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,26H,17-18H2,1-6H3,(H,25,27)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate has a molecular weight of 429.63 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 10960965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).