tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate

C29H43NO4Si — CID 140966072

IUPACtert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate
SMILESCC(C)C(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C29H43NO4Si/c1-22(2)26(31)20-19-23(30-27(32)34-28(3,4)5)21-33-35(29(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3,(H,30,32)/t23-/m0/s1
InChIKeyDRIRUQKGXOLLOS-QHCPKHFHSA-N
MW497.75 g/mol
LogP5.46
Rot. Bonds10

About tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate (PubChem CID 140966072) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate
PubChem CID140966072
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate
SMILESCC(C)C(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C29H43NO4Si/c1-22(2)26(31)20-19-23(30-27(32)34-28(3,4)5)21-33-35(29(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3,(H,30,32)/t23-/m0/s1
InChIKeyDRIRUQKGXOLLOS-QHCPKHFHSA-N
XLogP5.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate (CID 140966072) is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate is CC(C)C(=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-6-methyl-5-oxoheptan-2-yl]carbamate?
The InChIKey is DRIRUQKGXOLLOS-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-22(2)26(31)20-19-23(30-27(32)34-28(3,4)5)21-33-35(29(6,7)8,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3,(H,30,32)/t23-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate has a molecular weight of 497.75 g/mol, XLogP of 5.46, 10 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-6-methyl-5-oxoheptan-2-yl]carbamate is sourced from PubChem (CID 140966072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).