tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate

C27H39NO4Si — CID 140966122

IUPACtert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate
SMILESCC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-21(29)18-19-22(28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-20H2,1-7H3,(H,28,30)/t22-/m0/s1
InChIKeyRDTKYDQESWASRY-QFIPXVFZSA-N
MW469.70 g/mol
LogP4.83
Rot. Bonds9

About tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate (PubChem CID 140966122) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate
PubChem CID140966122
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate
SMILESCC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-21(29)18-19-22(28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-20H2,1-7H3,(H,28,30)/t22-/m0/s1
InChIKeyRDTKYDQESWASRY-QFIPXVFZSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.83
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-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate (CID 140966122) is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate is CC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
The InChIKey is RDTKYDQESWASRY-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-21(29)18-19-22(28-25(30)32-26(2,3)4)20-31-33(27(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-20H2,1-7H3,(H,28,30)/t22-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate has a molecular weight of 469.70 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate is sourced from PubChem (CID 140966122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).