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

C17H32N2O4Si — CID 140646285

IUPACtri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate
SMILESCC(C)[Si](OC(=O)N=NC(=O)OC1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C17H32N2O4Si/c1-12(2)24(13(3)4,14(5)6)23-17(21)19-18-16(20)22-15-10-8-7-9-11-15/h12-15H,7-11H2,1-6H3
InChIKeyWKTHLEIUFZYGSE-UHFFFAOYSA-N
MW356.54 g/mol
LogP6.22
Rot. Bonds5

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

tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate (PubChem CID 140646285) has the molecular formula C17H32N2O4Si and a molecular weight of 356.54 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate
PubChem CID140646285
Molecular FormulaC17H32N2O4Si
Molecular Weight356.54 g/mol
Exact Mass356.21
IUPAC Nametri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate
SMILESCC(C)[Si](OC(=O)N=NC(=O)OC1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C17H32N2O4Si/c1-12(2)24(13(3)4,14(5)6)23-17(21)19-18-16(20)22-15-10-8-7-9-11-15/h12-15H,7-11H2,1-6H3
InChIKeyWKTHLEIUFZYGSE-UHFFFAOYSA-N
XLogP6.22
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.54
LogP ≤ 56.22
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

cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
tris(2-methylpropyl)silyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646307
tri(propan-2-yl)silyl N-triethylsilyloxycarbonyliminocarbamate
CID 140646275
cycloheptadecyl acetate
CID 57215828
cyclohexyl N-ethylidenecarbamate
CID 56637848
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(6-acetyloxycyclodecyl) acetate
CID 539578
lithium;carbanide;cyclohexyl acetate
CID 158677387
[(2S)-1-cyclohexyloxy-1-oxopropan-2-yl]azanium
CID 86325429
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
(3-methylphenyl) N-cyclopentyloxycarbonyliminocarbamate
CID 140646332

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate?
The IUPAC name of tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate (CID 140646285) is tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate is CC(C)[Si](OC(=O)N=NC(=O)OC1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate?
The InChIKey is WKTHLEIUFZYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4Si/c1-12(2)24(13(3)4,14(5)6)23-17(21)19-18-16(20)22-15-10-8-7-9-11-15/h12-15H,7-11H2,1-6H3.
What are the key properties of tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate?
tri(propan-2-yl)silyl N-cyclohexyloxycarbonyliminocarbamate has a molecular weight of 356.54 g/mol, XLogP of 6.22, 5 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-cyclohexyloxycarbonyliminocarbamate is sourced from PubChem (CID 140646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).