[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate

C30H47NO3Si — CID 74982242

IUPAC[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C30H47NO3Si/c1-23(2)31(24(3)4)29(32)33-21-25(5)20-26(6)22-34-35(30(7,8)9,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-19,23-26H,20-22H2,1-9H3/t25-,26+/m0/s1
InChIKeyRJDUPJMZGKDZBU-IZZNHLLZSA-N
MW497.80 g/mol
LogP6.48
Rot. Bonds11

About [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate

[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate (PubChem CID 74982242) has the molecular formula C30H47NO3Si and a molecular weight of 497.80 g/mol. Its IUPAC name is [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate
PubChem CID74982242
Molecular FormulaC30H47NO3Si
Molecular Weight497.80 g/mol
Exact Mass497.33
IUPAC Name[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C30H47NO3Si/c1-23(2)31(24(3)4)29(32)33-21-25(5)20-26(6)22-34-35(30(7,8)9,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-19,23-26H,20-22H2,1-9H3/t25-,26+/m0/s1
InChIKeyRJDUPJMZGKDZBU-IZZNHLLZSA-N
XLogP6.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.80
LogP ≤ 56.48
H-Bond Donors ≤ 50
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 [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate (CID 74982242) is [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RJDUPJMZGKDZBU-IZZNHLLZSA-N. The full InChI is InChI=1S/C30H47NO3Si/c1-23(2)31(24(3)4)29(32)33-21-25(5)20-26(6)22-34-35(30(7,8)9,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-19,23-26H,20-22H2,1-9H3/t25-,26+/m0/s1.
What are the key properties of [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate?
[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 497.80 g/mol, XLogP of 6.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 74982242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).