tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate

C20H35NO4Si — CID 11079467

IUPACtert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C20H35NO4Si/c1-19(2,3)25-18(23)21-16(14-24-26(7,8)20(4,5)6)17(22)15-12-10-9-11-13-15/h9-13,16-17,22H,14H2,1-8H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyUKNSRCWZMSUVCE-IAGOWNOFSA-N
MW381.59 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate

tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate (PubChem CID 11079467) has the molecular formula C20H35NO4Si and a molecular weight of 381.59 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate
PubChem CID11079467
Molecular FormulaC20H35NO4Si
Molecular Weight381.59 g/mol
Exact Mass381.23
IUPAC Nametert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)c1ccccc1
InChIInChI=1S/C20H35NO4Si/c1-19(2,3)25-18(23)21-16(14-24-26(7,8)20(4,5)6)17(22)15-12-10-9-11-13-15/h9-13,16-17,22H,14H2,1-8H3,(H,21,23)/t16-,17-/m1/s1
InChIKeyUKNSRCWZMSUVCE-IAGOWNOFSA-N
XLogP4.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 54.64
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-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate (CID 11079467) is tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is UKNSRCWZMSUVCE-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H35NO4Si/c1-19(2,3)25-18(23)21-16(14-24-26(7,8)20(4,5)6)17(22)15-12-10-9-11-13-15/h9-13,16-17,22H,14H2,1-8H3,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 381.59 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 11079467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).