benzyl N-(4-trimethylsilylcyclohexyl)carbamate

C17H27NO2Si — CID 153445221

IUPACbenzyl N-(4-trimethylsilylcyclohexyl)carbamate
SMILESC[Si](C)(C)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2Si/c1-21(2,3)16-11-9-15(10-12-16)18-17(19)20-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,18,19)
InChIKeyMMOAGCZOWIHBTL-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.56
Rot. Bonds4

About benzyl N-(4-trimethylsilylcyclohexyl)carbamate

benzyl N-(4-trimethylsilylcyclohexyl)carbamate (PubChem CID 153445221) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is benzyl N-(4-trimethylsilylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-trimethylsilylcyclohexyl)carbamate
PubChem CID153445221
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Namebenzyl N-(4-trimethylsilylcyclohexyl)carbamate
SMILESC[Si](C)(C)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2Si/c1-21(2,3)16-11-9-15(10-12-16)18-17(19)20-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,18,19)
InChIKeyMMOAGCZOWIHBTL-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl N-(4-trimethylsilylcyclohexyl)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-(4-trimethylsilylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(4-trimethylsilylcyclohexyl)carbamate (CID 153445221) is benzyl N-(4-trimethylsilylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(4-trimethylsilylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(4-trimethylsilylcyclohexyl)carbamate is C[Si](C)(C)C1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-trimethylsilylcyclohexyl)carbamate?
The InChIKey is MMOAGCZOWIHBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-21(2,3)16-11-9-15(10-12-16)18-17(19)20-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,18,19).
What are the key properties of benzyl N-(4-trimethylsilylcyclohexyl)carbamate?
benzyl N-(4-trimethylsilylcyclohexyl)carbamate has a molecular weight of 305.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-trimethylsilylcyclohexyl)carbamate is sourced from PubChem (CID 153445221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).