triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate

C27H22N2O4Si — CID 140646335

IUPACtriphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate
SMILESCc1ccc(OC(=O)N=NC(=O)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22N2O4Si/c1-21-17-19-22(20-18-21)32-26(30)28-29-27(31)33-34(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeyWOLIBDYZXHGTKO-UHFFFAOYSA-N
MW466.57 g/mol
LogP4.75
Rot. Bonds5

About triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate

triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate (PubChem CID 140646335) has the molecular formula C27H22N2O4Si and a molecular weight of 466.57 g/mol. Its IUPAC name is triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate.

Molecular Properties

Compound Nametriphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate
PubChem CID140646335
Molecular FormulaC27H22N2O4Si
Molecular Weight466.57 g/mol
Exact Mass466.13
IUPAC Nametriphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate
SMILESCc1ccc(OC(=O)N=NC(=O)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22N2O4Si/c1-21-17-19-22(20-18-21)32-26(30)28-29-27(31)33-34(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3
InChIKeyWOLIBDYZXHGTKO-UHFFFAOYSA-N
XLogP4.75
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646264
phenoxycarbonyliminocarbamic acid
CID 68503217
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
(4-methylphenyl) hydrogen carbonate
CID 19016637
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587
bis(4-methylphenyl) carbonate;ethane
CID 145416039
(4-methylphenyl) acetate;zinc
CID 159589232
benzyl (4-methylphenyl) carbonate
CID 118690287
(4-methylphenyl) N-benzylcarbamate
CID 14292552
carboxyiminocarbamic acid;toluene
CID 69429979
(4-methylphenyl) 3-phenylazete-2-carboxylate
CID 68620111

Frequently Asked Questions

What is the IUPAC name of triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate?
The IUPAC name of triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate (CID 140646335) is triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate.
What is the SMILES notation for triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate?
The canonical SMILES for triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate is Cc1ccc(OC(=O)N=NC(=O)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate?
The InChIKey is WOLIBDYZXHGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4Si/c1-21-17-19-22(20-18-21)32-26(30)28-29-27(31)33-34(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3.
What are the key properties of triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate?
triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate has a molecular weight of 466.57 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylsilyl N-(4-methylphenoxy)carbonyliminocarbamate is sourced from PubChem (CID 140646335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).