triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate

C15H22N2O4Si — CID 140646248

IUPACtriethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate
SMILESCC[Si](CC)(CC)OC(=O)N=NC(=O)Oc1ccccc1C
InChIInChI=1S/C15H22N2O4Si/c1-5-22(6-2,7-3)21-15(19)17-16-14(18)20-13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyBCNRABIBXAUXFO-UHFFFAOYSA-N
MW322.44 g/mol
LogP5.09
Rot. Bonds5

About triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate

triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate (PubChem CID 140646248) has the molecular formula C15H22N2O4Si and a molecular weight of 322.44 g/mol. Its IUPAC name is triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate.

Molecular Properties

Compound Nametriethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate
PubChem CID140646248
Molecular FormulaC15H22N2O4Si
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Nametriethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate
SMILESCC[Si](CC)(CC)OC(=O)N=NC(=O)Oc1ccccc1C
InChIInChI=1S/C15H22N2O4Si/c1-5-22(6-2,7-3)21-15(19)17-16-14(18)20-13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3
InChIKeyBCNRABIBXAUXFO-UHFFFAOYSA-N
XLogP5.09
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.09
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

triethylsilyl 2-methylbenzoate
CID 102243806
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
(2-methylphenyl) 2-ethylbutanoate
CID 78776856
1-O-ethyl 3-O-(2-methylphenyl) 2,2-dimethylpropanedioate
CID 91699086
trimethyl-[[(2-methylphenoxy)carbonylamino]methyl]azanium chloride
CID 21397606
(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
1-O-(2-methylphenyl) 3-O-[2-(trifluoromethyl)phenyl] propanedioate
CID 90195229
(2-methylphenyl) 2-ethyl-2-methylpentanoate
CID 89386022
(2-methylphenyl) 2-methylpentanoate
CID 68905872
(2-methylphenyl) 3,3-dimethylbutanoate
CID 78776850

Frequently Asked Questions

What is the IUPAC name of triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate?
The IUPAC name of triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate (CID 140646248) is triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate.
What is the SMILES notation for triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate?
The canonical SMILES for triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate is CC[Si](CC)(CC)OC(=O)N=NC(=O)Oc1ccccc1C.
What is the InChIKey of triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate?
The InChIKey is BCNRABIBXAUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4Si/c1-5-22(6-2,7-3)21-15(19)17-16-14(18)20-13-11-9-8-10-12(13)4/h8-11H,5-7H2,1-4H3.
What are the key properties of triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate?
triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate has a molecular weight of 322.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate is sourced from PubChem (CID 140646248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).