tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate

C21H34N2O4Si — CID 140646458

IUPACtris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OC(=O)N=NC(=O)OCc1ccccc1
InChIInChI=1S/C21H34N2O4Si/c1-16(2)13-28(14-17(3)4,15-18(5)6)27-21(25)23-22-20(24)26-12-19-10-8-7-9-11-19/h7-11,16-18H,12-15H2,1-6H3
InChIKeyFZKDMBRXSLIBED-UHFFFAOYSA-N
MW406.60 g/mol
LogP6.83
Rot. Bonds9

About tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate

tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate (PubChem CID 140646458) has the molecular formula C21H34N2O4Si and a molecular weight of 406.60 g/mol. Its IUPAC name is tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate.

Molecular Properties

Compound Nametris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate
PubChem CID140646458
Molecular FormulaC21H34N2O4Si
Molecular Weight406.60 g/mol
Exact Mass406.23
IUPAC Nametris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)OC(=O)N=NC(=O)OCc1ccccc1
InChIInChI=1S/C21H34N2O4Si/c1-16(2)13-28(14-17(3)4,15-18(5)6)27-21(25)23-22-20(24)26-12-19-10-8-7-9-11-19/h7-11,16-18H,12-15H2,1-6H3
InChIKeyFZKDMBRXSLIBED-UHFFFAOYSA-N
XLogP6.83
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 56.83
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'}

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Related Compounds

benzyl N-(4-methylphenoxy)carbonyliminocarbamate
CID 140646264
benzyl 3-hydroxybutanoate
CID 562226
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl N-(4-methyl-3-oxo-1-phenylpentan-2-ylidene)carbamate
CID 123514330
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl 3-methylbutanoate;ethyl 3-methylbutanoate;phenylmethanol
CID 159024210
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
benzyl 3-hydroxy-6-methylheptanoate
CID 10824589
benzyl 5-amino-3-methyl-4-oxopentanoate;hydrochloride
CID 174448804
benzyl carbamate;4-methylpentanoic acid
CID 144902087

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate?
The IUPAC name of tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate (CID 140646458) is tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate.
What is the SMILES notation for tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate?
The canonical SMILES for tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate is CC(C)C[Si](CC(C)C)(CC(C)C)OC(=O)N=NC(=O)OCc1ccccc1.
What is the InChIKey of tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate?
The InChIKey is FZKDMBRXSLIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4Si/c1-16(2)13-28(14-17(3)4,15-18(5)6)27-21(25)23-22-20(24)26-12-19-10-8-7-9-11-19/h7-11,16-18H,12-15H2,1-6H3.
What are the key properties of tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate?
tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate has a molecular weight of 406.60 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate is sourced from PubChem (CID 140646458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).