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

C30H37NO4Si — CID 66600416

IUPACbenzyl 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)OCc1ccccc1
InChIInChI=1S/C30H37NO4Si/c1-24(32)20-21-26(31-29(33)34-22-25-14-8-5-9-15-25)23-35-36(30(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,26H,20-23H2,1-4H3,(H,31,33)/t26-/m0/s1
InChIKeyCOICATVVZFDBOG-SANMLTNESA-N
MW503.72 g/mol
LogP5.23
Rot. Bonds11

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

benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate (PubChem CID 66600416) has the molecular formula C30H37NO4Si and a molecular weight of 503.72 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate
PubChem CID66600416
Molecular FormulaC30H37NO4Si
Molecular Weight503.72 g/mol
Exact Mass503.25
IUPAC Namebenzyl 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)OCc1ccccc1
InChIInChI=1S/C30H37NO4Si/c1-24(32)20-21-26(31-29(33)34-22-25-14-8-5-9-15-25)23-35-36(30(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,26H,20-23H2,1-4H3,(H,31,33)/t26-/m0/s1
InChIKeyCOICATVVZFDBOG-SANMLTNESA-N
XLogP5.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.72
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-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 benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate (CID 66600416) is benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
The canonical SMILES for benzyl 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)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
The InChIKey is COICATVVZFDBOG-SANMLTNESA-N. The full InChI is InChI=1S/C30H37NO4Si/c1-24(32)20-21-26(31-29(33)34-22-25-14-8-5-9-15-25)23-35-36(30(2,3)4,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,26H,20-23H2,1-4H3,(H,31,33)/t26-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate?
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate has a molecular weight of 503.72 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-oxohexan-2-yl]carbamate is sourced from PubChem (CID 66600416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).