[dichloro(phenyl)silyl] N-cyclohexylcarbamate

C13H17Cl2NO2Si — CID 22755494

IUPAC[dichloro(phenyl)silyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)O[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H17Cl2NO2Si/c14-19(15,12-9-5-2-6-10-12)18-13(17)16-11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,17)
InChIKeyLSJSEOULKWUGCV-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.37
Rot. Bonds3

About [dichloro(phenyl)silyl] N-cyclohexylcarbamate

[dichloro(phenyl)silyl] N-cyclohexylcarbamate (PubChem CID 22755494) has the molecular formula C13H17Cl2NO2Si and a molecular weight of 318.28 g/mol. Its IUPAC name is [dichloro(phenyl)silyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[dichloro(phenyl)silyl] N-cyclohexylcarbamate
PubChem CID22755494
Molecular FormulaC13H17Cl2NO2Si
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name[dichloro(phenyl)silyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)O[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H17Cl2NO2Si/c14-19(15,12-9-5-2-6-10-12)18-13(17)16-11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,17)
InChIKeyLSJSEOULKWUGCV-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dichloro(phenyl)silyl] N-cyclohexylcarbamate?
The IUPAC name of [dichloro(phenyl)silyl] N-cyclohexylcarbamate (CID 22755494) is [dichloro(phenyl)silyl] N-cyclohexylcarbamate.
What is the SMILES notation for [dichloro(phenyl)silyl] N-cyclohexylcarbamate?
The canonical SMILES for [dichloro(phenyl)silyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)O[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of [dichloro(phenyl)silyl] N-cyclohexylcarbamate?
The InChIKey is LSJSEOULKWUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2Si/c14-19(15,12-9-5-2-6-10-12)18-13(17)16-11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,17).
What are the key properties of [dichloro(phenyl)silyl] N-cyclohexylcarbamate?
[dichloro(phenyl)silyl] N-cyclohexylcarbamate has a molecular weight of 318.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phenyl)silyl] N-cyclohexylcarbamate is sourced from PubChem (CID 22755494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).