tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate

C17H36N2O4Si2 — CID 140646275

IUPACtri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate
SMILESCC[Si](CC)(CC)OC(=O)N=NC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36N2O4Si2/c1-10-24(11-2,12-3)22-16(20)18-19-17(21)23-25(13(4)5,14(6)7)15(8)9/h13-15H,10-12H2,1-9H3
InChIKeyDXCRXOJUZCUVOE-UHFFFAOYSA-N
MW388.66 g/mol
LogP6.89
Rot. Bonds8

About tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate

tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate (PubChem CID 140646275) has the molecular formula C17H36N2O4Si2 and a molecular weight of 388.66 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate
PubChem CID140646275
Molecular FormulaC17H36N2O4Si2
Molecular Weight388.66 g/mol
Exact Mass388.22
IUPAC Nametri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate
SMILESCC[Si](CC)(CC)OC(=O)N=NC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36N2O4Si2/c1-10-24(11-2,12-3)22-16(20)18-19-17(21)23-25(13(4)5,14(6)7)15(8)9/h13-15H,10-12H2,1-9H3
InChIKeyDXCRXOJUZCUVOE-UHFFFAOYSA-N
XLogP6.89
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.66
LogP ≤ 56.89
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

tri(propan-2-yl)silyl N-pentoxycarbonyliminocarbamate
CID 140646377
tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646285
triethylsilyl N-(2-methylphenoxy)carbonyliminocarbamate
CID 140646248
tris(2-methylpropyl)silyl N-butoxycarbonyliminocarbamate
CID 140646289
bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid
CID 58473372
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646307
nonyl tri(propan-2-yl)silyl carbonate
CID 155712658
(4R)-4-hydroxy-4-methyl-6-tri(propan-2-yl)silyloxyhept-6-en-3-one
CID 135055369
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
tripropylsilyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646172
tris(2-methylpropyl)silyl N-phenylmethoxycarbonyliminocarbamate
CID 140646458

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate?
The IUPAC name of tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate (CID 140646275) is tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate is CC[Si](CC)(CC)OC(=O)N=NC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate?
The InChIKey is DXCRXOJUZCUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O4Si2/c1-10-24(11-2,12-3)22-16(20)18-19-17(21)23-25(13(4)5,14(6)7)15(8)9/h13-15H,10-12H2,1-9H3.
What are the key properties of tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate?
tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate has a molecular weight of 388.66 g/mol, XLogP of 6.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate is sourced from PubChem (CID 140646275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).