tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate

C28H43NO4Si — CID 58006908

IUPACtert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-22(2)29(26(31)33-27(3,4)5)20-19-23(30)21-32-34(28(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23,30H,19-21H2,1-8H3/t23-/m1/s1
InChIKeyFVNIMOSIXYWRPN-HSZRJFAPSA-N
MW485.74 g/mol
LogP4.96
Rot. Bonds9

About tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate

tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate (PubChem CID 58006908) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate
PubChem CID58006908
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Nametert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-22(2)29(26(31)33-27(3,4)5)20-19-23(30)21-32-34(28(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23,30H,19-21H2,1-8H3/t23-/m1/s1
InChIKeyFVNIMOSIXYWRPN-HSZRJFAPSA-N
XLogP4.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.74
LogP ≤ 54.96
H-Bond Donors ≤ 51
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-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate (CID 58006908) is tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate is CC(C)N(CC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate?
The InChIKey is FVNIMOSIXYWRPN-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-22(2)29(26(31)33-27(3,4)5)20-19-23(30)21-32-34(28(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23,30H,19-21H2,1-8H3/t23-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate?
tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate has a molecular weight of 485.74 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 58006908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).